3-methyl-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-butanoic acid Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-3-methyl-butyric acid Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S/c1-13(2)17(18(22)23)24-19-20-15-10-6-7-11-16(15)21(19)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,23)