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

Systemtic Name: ethyl (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxo-butanoate CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxobutanoate Traditional Name: (2S)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-3-keto-butyric acid ethyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

InChI

InChI=1S/C19H17N3O3S/c1-4-25-19(24)17(12(3)23)26-16-9-11(2)13(10-20)18-21-14-7-5-6-8-15(14)22(16)18/h5-9,17H,4H2,1-3H3/t17-/m0/s1