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

Systemtic Name: ethyl (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C23H19N3O2S/c1-3-28-23(27)21(16-9-5-4-6-10-16)29-20-13-15(2)17(14-24)22-25-18-11-7-8-12-19(18)26(20)22/h4-13,21H,3H2,1-2H3/t21-/m0/s1