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

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoic acid Openeye Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoic acid CAS Name: 3-[2-(1H-benzimidazol-2-ylthio)ethoxy]benzoic acid IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]benzoic acid Traditional Name: 3-[2-(1H-benzimidazol-2-ylthio)ethoxy]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c19-15(20)11-4-3-5-12(10-11)21-8-9-22-16-17-13-6-1-2-7-14(13)18-16/h1-7,10H,8-9H2,(H,17,18)(H,19,20)