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

Systemtic Name: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid Openeye Name: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]propanoic acid IUPAC Name: (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]propionic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)O)C#N

InChI

InChI=1S/C16H13N3O2S/c1-9-7-14(22-10(2)16(20)21)19-13-6-4-3-5-12(13)18-15(19)11(9)8-17/h3-7,10H,1-2H3,(H,20,21)/t10-/m1/s1