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

Systemtic Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-6-mercapto-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4S)-5-cyano-2-keto-6-mercapto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-3-22-11-7-5-4-6-9(11)12-10(8-17)15(23)18-14(19)13(12)16(20)21-2/h4-7,12-13,23H,3H2,1-2H3,(H,18,19)/t12-,13-/m0/s1