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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

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