2-[[3-(carboxymethylsulfanyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-(carboxymethylsulfanyl)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-(carboxymethylsulfanyl)benzoyl]amino]benzoic acid CAS Name: 2-[[[3-(carboxymethylthio)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-(carboxymethylsulfanyl)benzoyl]amino]benzoic acid Traditional Name: 2-[[3-(carboxymethylthio)benzoyl]amino]benzoic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)SCC(=O)O

InChI

InChI=1S/C16H13NO5S/c18-14(19)9-23-11-5-3-4-10(8-11)15(20)17-13-7-2-1-6-12(13)16(21)22/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)