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PDB Info pages Status search Chemie search: 790 results BIRD

8XZ

8XZ
Name:	[(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid
Formula:	C13 H19 O4 P S
SMILES:	CC(=O)SC[CH](CCCc1ccccc1)[P](O)(O)=O
InChi:	InChI=1S/C13H19O4PS/c1-11(14)19-10-13(18(15,16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H2,15,16,17)/t13-/m1/s1
Definition date:	2017-03-22
Last modified:	2017-04-21
Release date:	2017-04-26
Identifier:	[(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid

D5Q

D5Q
Name:	4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Formula:	C29 H26 F N5 O3 S
SMILES:	COc1ccc(OC)c(c1)c2cn(C)c(c2)C(=O)Nc3cc(ccn3)c4[nH]c(SC)nc4c5ccc(F)cc5
InChi:	InChI=1S/C29H26FN5O3S/c1-35-16-19(22-15-21(37-2)9-10-24(22)38-3)13-23(35)28(36)32-25-14-18(11-12-31-25)27-26(33-29(34-27)39-4)17-5-7-20(30)8-6-17/h5-16H,1-4H3,(H,33,34)(H,31,32,36)
Definition date:	2016-12-21
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	4-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]-1-methyl-pyrrole-2-carboxamide

1VI

1VI
Name:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide
Formula:	C26 H25 F N4 O3 S
SMILES:	COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3[nH]c(SC)nc3c4ccc(F)cc4)c1
InChi:	InChI=1S/C26H25FN4O3S/c1-33-20-9-10-21(34-2)17(14-20)6-11-23(32)29-22-15-18(12-13-28-22)25-24(30-26(31-25)35-3)16-4-7-19(27)8-5-16/h4-5,7-10,12-15H,6,11H2,1-3H3,(H,30,31)(H,28,29,32)
Definition date:	2016-12-06
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide

UUN

UUN
Name:	N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Formula:	C12 H11 N3 O3 S
SMILES:	C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(NO)=O
InChi:	InChI=1S/C12H11N3O3S/c16-10-6-9(8-4-2-1-3-5-8)13-12(14-10)19-7-11(17)15-18/h1-6,18H,7H2,(H,15,17)(H,13,14,16)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

H0X

H0X
Name:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile
Formula:	C12 H9 N3 O S
SMILES:	C(C#N)SC=2NC(C=C(c1ccccc1)N=2)=O
InChi:	InChI=1S/C12H9N3OS/c13-6-7-17-12-14-10(8-11(16)15-12)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,14,15,16)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile

7IA

7IA
Name:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid
Formula:	C12 H10 N2 O3 S
SMILES:	C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O
InChi:	InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid

82M

82M
Name:	N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide
Formula:	C18 H18 Cl F N4 O2 S
SMILES:	C(C(NC(=O)c1nc(cc1)c2cc(F)c(Cl)cc2)c3sc(c(C)n3)CO)N
InChi:	InChI=1S/C18H18ClFN4O2S/c1-9-16(8-25)27-18(22-9)15(7-21)24-17(26)14-5-4-13(23-14)10-2-3-11(19)12(20)6-10/h2-6,15,23,25H,7-8,21H2,1H3,(H,24,26)/t15-/m0/s1
Definition date:	2016-12-16
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide

XKA

XKA
Name:	[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
Formula:	C18 H19 N5 O6 S2
SMILES:	Cc1nc(sc1C(=O)c2sc(N[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)nc2)c4cnccn4
InChi:	InChI=1S/C18H19N5O6S2/c1-7-15(31-17(22-7)8-4-19-2-3-20-8)12(26)10-5-21-18(30-10)23-16-14(28)13(27)11(25)9(6-24)29-16/h2-5,9,11,13-14,16,24-25,27-28H,6H2,1H3,(H,21,23)/t9-,11-,13+,14+,16+/m1/s1
Definition date:	2017-01-10
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[2-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone

759

759
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C49 H62 Cl N9 O8 S2
SMILES:	CC1=C(SCN1)c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)COCCOCCOCCNC(=O)C[CH]4N=C(c5ccc(Cl)cc5)c6c(C)c(C)sc6n7c(C)nnc47)C(C)(C)C)cc2
InChi:	InChI=1S/C49H62ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,36-38,44,53,60H,16-27H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1
Definition date:	2016-08-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

7FU

7FU
Name:	2-Hydrazino-1,3-benzothiazole-6-carbohydrazide
Formula:	C8 H9 N5 O S
SMILES:	NNC(=O)c1ccc2nc(NN)sc2c1
InChi:	InChI=1S/C8H9N5OS/c9-12-7(14)4-1-2-5-6(3-4)15-8(11-5)13-10/h1-3H,9-10H2,(H,11,13)(H,12,14)
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-diazanyl-1,3-benzothiazole-6-carbohydrazide

P6M

P6M
Name:	(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Formula:	C17 H20 F5 N3 S
SMILES:	Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(SC(C3)C)N
InChi:	InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1
Definition date:	2016-09-29
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

7H0

7H0
Name:	7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Formula:	C15 H13 Cl F3 N5 O2 S
SMILES:	C(=O)(C1=C(C)SC=2N1C(=O)C=C(N=2)Cn3c(Cl)cc(n3)C(F)(F)F)NCC
InChi:	InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)
Definition date:	2016-10-24
Last modified:	2016-11-25
Release date:	2016-11-30
Identifier:	7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

63K

63K
Name:	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea
Formula:	C25 H23 F N8 O2 S2
SMILES:	c1cc(ccc1c3ccc2nnc(n2n3)Sc5ccc6nc(NC(NCCN4CCOCC4)=O)sc6c5)F
InChi:	InChI=1S/C25H23FN8O2S2/c26-17-3-1-16(2-4-17)19-7-8-22-30-31-25(34(22)32-19)37-18-5-6-20-21(15-18)38-24(28-20)29-23(35)27-9-10-33-11-13-36-14-12-33/h1-8,15H,9-14H2,(H2,27,28,29,35)
Definition date:	2016-01-20
Last modified:	2016-11-18
Release date:	2016-11-23
Identifier:	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea

TD5

TD5
Name:	(4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid
Formula:	C16 H25 N4 O10 P2 S
SMILES:	Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CCC(O)=O)c(N)n1
InChi:	InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1/t12-/m1/s1
Definition date:	2015-11-20
Last modified:	2016-10-28
Release date:	2016-11-02
Identifier:	(4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid

5AU

5AU
Name:	Di-glutathione-PhenylArsine
Formula:	C26 H37 As N6 O12 S2
SMILES:	NC(CCC(NC(CS[As](SCC(NC(=O)CCC(C(O)=O)N)C(=O)NCC(O)=O)c1ccccc1)C(NCC(O)=O)=O)=O)C(O)=O
InChi:	InChI=1S/C26H37AsN6O12S2/c28-15(25(42)43)6-8-19(34)32-17(23(40)30-10-21(36)37)12-46-27(14-4-2-1-3-5-14)47-13-18(24(41)31-11-22(38)39)33-20(35)9-7-16(29)26(44)45/h1-5,15-18H,6-13,28-29H2,(H,30,40)(H,31,41)(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t15-,16-,17-,18-/m0/s1
Definition date:	2015-08-31
Last modified:	2016-10-21
Release date:	2016-10-26
Identifier:	(2S,7R,13R,18S)-2,18-diamino-7,13-bis[(carboxymethyl)carbamoyl]-5,15-dioxo-10-phenyl-9,11-dithia-6,14-diaza-10-arsanonadecane-1,19-dioic acid (non-preferred name)

GVX

GVX
Name:	L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine
Formula:	C19 H26 N4 O6 S2
SMILES:	OC(C(CCC(=O)NC(C(=O)NCC(O)=O)CSC(=S)NCCc1ccccc1)N)=O
InChi:	InChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1
Definition date:	2016-05-05
Last modified:	2016-10-07
Release date:	2016-10-12
Identifier:	L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine

5H6

5H6
Name:	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
Formula:	C8 H4 Cl N O3 S
SMILES:	c2c(c1cc(C(O)=O)no1)sc(c2)Cl
InChi:	InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
Definition date:	2015-09-24
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

72O

72O
Name:	2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole
Formula:	C14 H12 Cl N3 O S
SMILES:	Cc1nc(COc2cccc(Cl)c2)sc1c3[nH]ncc3
InChi:	InChI=1S/C14H12ClN3OS/c1-9-14(12-5-6-16-18-12)20-13(17-9)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,18)
Definition date:	2016-08-17
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole

TDN

TDN
Name:	2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C15 H24 N4 O8 P2 S
SMILES:	CCC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,20H,4-6,8H2,1-3H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/b15-12+
Definition date:	2016-04-07
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

5GC

5GC
Name:	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine
Formula:	C7 H13 N3 O2 S2
SMILES:	c1(c(c(SC)nn1)S(=O)(=O)C(C)C)N
InChi:	InChI=1S/C7H13N3O2S2/c1-4(2)14(11,12)5-6(8)9-10-7(5)13-3/h4H,1-3H3,(H3,8,9,10)
Definition date:	2015-09-23
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine

5GL

5GL
Name:	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one
Formula:	C13 H20 N2 O S
SMILES:	CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
InChi:	InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

5GY

5GY
Name:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Formula:	C14 H22 F N4 O8 P2 S
SMILES:	Nc1c(cnc(C)n1)C[n+]2c(c(sc2C(O)CF)CCOP(=O)(O)OP(O)(=O)O)C
InChi:	InChI=1S/C14H21FN4O8P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)5-15)19(8)7-10-6-17-9(2)18-13(10)16/h6,11,20H,3-5,7H2,1-2H3,(H4-,16,17,18,21,22,23,24,25)/p+1/t11-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

5J4

5J4
Name:	2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol
Formula:	C14 H9 N3 O S2
SMILES:	c1(ccc3c(c1)sc(c2scc(n2)O)n3)NC4=CC=C4
InChi:	InChI=1S/C14H9N3OS2/c18-12-7-19-13(17-12)14-16-10-5-4-9(6-11(10)20-14)15-8-2-1-3-8/h1-7,15,18H
Definition date:	2015-09-29
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol

67Q

67Q
Name:	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
Formula:	C18 H19 F2 N5 O3 S2
SMILES:	c1(c(C)nc(cn1)C(=O)NCC=2CN=C(C)S=2)CNS(c3cc(c(cc3)F)F)(=O)=O
InChi:	InChI=1S/C18H19F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-5,8,24,29H,6-7,9H2,1-2H3,(H,23,26)
Definition date:	2016-02-15
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide

71P

71P
Name:	~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide
Formula:	C22 H25 N O5 S
SMILES:	COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
InChi:	InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1
Definition date:	2016-08-12
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide

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