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

Systemtic Name: ethyl (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylbutanoate Openeye Name: ethyl (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylbutanoate CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]butyric acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-4-16(19(23)24-5-2)25-17-10-12(3)13(11-20)18-21-14-8-6-7-9-15(14)22(17)18/h6-10,16H,4-5H2,1-3H3/t16-/m1/s1