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Summary Geometry Related PDB entries

6EY

Summary

Name:	(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
Formula:	C21 H16 Cl N O3 S2
Formal charge:	0
Formula weight:	429.94 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
OpenEye OEToolkits	2.0.4	(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(3-hydroxyphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=1(C(=O)NC(CC=1O)(c2cccc(O)c2)c3ccsc3)Sc4ccccc4Cl
InChI	InChI	1.03	InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)/t21-/m1/s1
InChIKey	InChI	1.03	OMRJWBOJLQCFAO-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c3cscc3)c4cccc(O)c4
SMILES	CACTVS	3.385	OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(O)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)SC2=C(CC(NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl

220113

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