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A1MDP

Summary
Name:2-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic acid
Formula:C21 H19 N O3 S
Formal charge:0
Formula weight:365.445 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-benzamido-4-phenyl-5-propan-2-yl-thiophene-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H19NO3S/c1-13(2)18-16(14-9-5-3-6-10-14)17(21(24)25)20(26-18)22-19(23)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)(H,24,25)
InChIKeyInChI1.06AOTXXOYZMAJTMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1sc(NC(=O)c2ccccc2)c(C(O)=O)c1c3ccccc3
SMILESCACTVS3.385CC(C)c1sc(NC(=O)c2ccccc2)c(C(O)=O)c1c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3

250359

PDB entries from 2026-03-11

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