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

Systemtic Name: (4-ethoxyphenyl)methyl 2-[(5-cyano-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]ethanoate Openeye Name: (4-ethoxyphenyl)methyl 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate CAS Name: 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid (4-ethoxyphenyl)methyl ester IUPAC Name: (4-ethoxyphenyl)methyl 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid (4-ethoxybenzyl) ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)COC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)COC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O4S/c1-2-28-18-10-8-16(9-11-18)14-29-22(27)15-30-23-20(13-24)19(12-21(26)25-23)17-6-4-3-5-7-17/h3-11,19H,2,12,14-15H2,1H3,(H,25,26)