2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)acetic acid CAS Name: 2-[2-(phenylmethylthio)-1-benzimidazolyl]acetic acid IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)acetic acid Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]acetic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)