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W9W

Summary
Name:2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
Formula:C17 H15 N O3 S
Formal charge:0
Formula weight:313.371 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-[(3-phenylthiophen-2-yl)carbamoyl]cyclopent-1-ene-1-carboxylic acid
OpenEye OEToolkits3.1.0.02-[(3-phenylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)C=1CCCC=1C(=O)Nc1sccc1c1ccccc1
InChIInChI1.06InChI=1S/C17H15NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21)
InChIKeyInChI1.06WTIMMZFOZTXDOY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1=C(CCC1)C(=O)Nc2sccc2c3ccccc3
SMILESCACTVS3.385OC(=O)C1=C(CCC1)C(=O)Nc2sccc2c3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)c2ccsc2NC(=O)C3=C(CCC3)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)c2ccsc2NC(=O)C3=C(CCC3)C(=O)O

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PDB entries from 2026-01-21

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