2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3-(4-chlorophenyl)propanoate

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3-(4-chlorophenyl)propanoate Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3-(4-chlorophenyl)propanoate CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-3-(4-chlorophenyl)propanoate IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3-(4-chlorophenyl)propanoate Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-3-(4-chlorophenyl)propionate Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SC(CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SC(CC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H13ClN2O2S/c17-11-7-5-10(6-8-11)9-14(15(20)21)22-16-18-12-3-1-2-4-13(12)19-16/h1-8,14H,9H2,(H,18,19)(H,20,21)