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

Systemtic Name: methyl 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-27-21(26)14-29-22-19(12-23)18(11-20(25)24-22)16-7-9-17(10-8-16)28-13-15-5-3-2-4-6-15/h2-10,18H,11,13-14H2,1H3,(H,24,25)