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

Systemtic Name: ethyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[(5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC

InChI

InChI=1S/C18H20N2O4S/c1-3-23-13-7-5-12(6-8-13)14-9-16(21)20-18(15(14)10-19)25-11-17(22)24-4-2/h5-8,14H,3-4,9,11H2,1-2H3,(H,20,21)