phenyl (2R)-2-[(4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoate

Systemtic Name: phenyl (2R)-2-[(4-cyano-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoate Openeye Name: phenyl (2R)-2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propanoic acid phenyl ester IUPAC Name: phenyl (2R)-2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-cyano-1-keto-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propionic acid phenyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)SCC2=CC(=O)N3C4=CC=CC=C4NC3=C2C#N

Isomeric SMILES

C[C@H](C(=O)OC1=CC=CC=C1)SCC2=CC(=O)N3C4=CC=CC=C4NC3=C2C#N

InChI

InChI=1S/C22H17N3O3S/c1-14(22(27)28-16-7-3-2-4-8-16)29-13-15-11-20(26)25-19-10-6-5-9-18(19)24-21(25)17(15)12-23/h2-11,14,24H,13H2,1H3/t14-/m1/s1