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

Systemtic Name: (phenylmethyl) 2-[[(3R,4S)-3,5-dicyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[(3R,4S)-3,5-dicyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(3R,4S)-3,5-dicyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(3R,4S)-3,5-dicyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(3R,4S)-3,5-dicyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(C(C(=O)N2)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C([C@@H]([C@@H](C(=O)N2)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H17N3O3S/c23-11-17-20(16-9-5-2-6-10-16)18(12-24)22(25-21(17)27)29-14-19(26)28-13-15-7-3-1-4-8-15/h1-10,17,20H,13-14H2,(H,25,27)/t17-,20+/m0/s1