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

Systemtic Name: butyl 2-[[(4S)-5-cyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C([C@@H](CC(=O)N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H20N2O3S/c1-2-3-9-23-17(22)12-24-18-15(11-19)14(10-16(21)20-18)13-7-5-4-6-8-13/h4-8,14H,2-3,9-10,12H2,1H3,(H,20,21)/t14-/m0/s1