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

Systemtic Name: methyl 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate Openeye Name: methyl 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid methyl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c1-10-7-14(22-9-15(20)21-2)19-13-6-4-3-5-12(13)18-16(19)11(10)8-17/h3-7H,9H2,1-2H3