(phenylmethyl) 2-[[(4S)-5-cyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(4S)-5-cyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[(4S)-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4S)-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-5-cyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c22-12-18-17(16-9-5-2-6-10-16)11-19(24)23-21(18)27-14-20(25)26-13-15-7-3-1-4-8-15/h1-10,17H,11,13-14H2,(H,23,24)/t17-/m0/s1