2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-methyl-butanoic acid Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-methyl-butanoic acid CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-3-methylbutanoic acid IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-3-methyl-butyric acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C(C)C)C(=O)O)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C(C)C)C(=O)O)C#N

InChI

InChI=1S/C18H17N3O2S/c1-10(2)16(18(22)23)24-15-8-11(3)12(9-19)17-20-13-6-4-5-7-14(13)21(15)17/h4-8,10,16H,1-3H3,(H,22,23)