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

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propoxy]benzoic acid Openeye Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propoxy]benzoic acid CAS Name: 3-[3-(1H-benzimidazol-2-ylthio)propoxy]benzoic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propoxy]benzoic acid Traditional Name: 3-[3-(1H-benzimidazol-2-ylthio)propoxy]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCOC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCOC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-16(21)12-5-3-6-13(11-12)22-9-4-10-23-17-18-14-7-1-2-8-15(14)19-17/h1-3,5-8,11H,4,9-10H2,(H,18,19)(H,20,21)