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

Systemtic Name: ethyl (2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenyl-acetate CAS Name: (2R)-2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-2-phenylacetate Traditional Name: (2R)-2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C4=CC=CC=C4)C(=O)OCC)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C4=CC=CC=C4)C(=O)OCC)C#N

InChI

InChI=1S/C24H21N3O2S/c1-3-16-14-21(30-22(24(28)29-4-2)17-10-6-5-7-11-17)27-20-13-9-8-12-19(20)26-23(27)18(16)15-25/h5-14,22H,3-4H2,1-2H3/t22-/m1/s1