methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4S)-5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-4-27-13-8-6-5-7-11(13)15-12(9-20)18(28-10-14(22)25-2)21-17(23)16(15)19(24)26-3/h5-8,15-16H,4,10H2,1-3H3,(H,21,23)/t15-,16-/m0/s1