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IPC

Summary
Name:3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Formula:C22 H21 N O3 S
Formal charge:0
Formula weight:379.472 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-{(1-methylethyl)[(4-methylphenyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid
OpenEye OEToolkits1.5.03-[(4-methylphenyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2sc(cc2N(C(=O)c1ccc(cc1)C)C(C)C)c3ccccc3
SMILES_CANONICALCACTVS3.341CC(C)N(C(=O)c1ccc(C)cc1)c2cc(sc2C(O)=O)c3ccccc3
SMILESCACTVS3.341CC(C)N(C(=O)c1ccc(C)cc1)c2cc(sc2C(O)=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C
InChIInChI1.03InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)
InChIKeyInChI1.03LRHXIDOGMBZJFN-UHFFFAOYSA-N

223790

數據於2024-08-14公開中

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