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

Systemtic Name: methyl 4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-3-keto-butyric acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S/c1-11-7-16(25-10-12(22)8-17(23)24-2)21-15-6-4-3-5-14(15)20-18(21)13(11)9-19/h3-7H,8,10H2,1-2H3