2-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[5-chloro-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(benzylcarbamoyl)-5-chlorothiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H15ClN2O4S/c21-16-10-15(17(24)22-11-12-6-2-1-3-7-12)19(28-16)23-18(25)13-8-4-5-9-14(13)20(26)27/h1-10H,11H2,(H,22,24)(H,23,25)(H,26,27)