methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-6-(2-methylprop-2-enylsulfanyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-6-(2-methylprop-2-enylsulfanyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-6-(2-methylallylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-5-cyano-4-(4-ethoxyphenyl)-6-(2-methylprop-2-enylthio)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-6-(2-methylprop-2-enylsulfanyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-5-cyano-2-keto-6-(2-methylallylthio)-4-p-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)C2[C@H](C(=O)NC(=C2C#N)SCC(=C)C)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-5-26-14-8-6-13(7-9-14)16-15(10-21)19(27-11-12(2)3)22-18(23)17(16)20(24)25-4/h6-9,16-17H,2,5,11H2,1,3-4H3,(H,22,23)/t16?,17-/m1/s1