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

Systemtic Name: ethyl 4-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C

InChI

InChI=1S/C19H17N3O3S/c1-3-25-18(24)9-13(23)11-26-17-8-12(2)14(10-20)19-21-15-6-4-5-7-16(15)22(17)19/h4-8H,3,9,11H2,1-2H3