3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]benzoic acid

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]benzoic acid Openeye Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]benzoic acid CAS Name: 3-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]benzoic acid IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]benzoic acid Traditional Name: 3-[2-(1H-benzimidazol-2-ylthio)acetyl]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-14(10-4-3-5-11(8-10)15(20)21)9-22-16-17-12-6-1-2-7-13(12)18-16/h1-8H,9H2,(H,17,18)(H,20,21)