2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H13N3O3S/c20-14(17-11-6-2-1-5-10(11)15(21)22)9-23-16-18-12-7-3-4-8-13(12)19-16/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)