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

Systemtic Name: ethyl (3S,4S)-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (3S,4S)-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4S)-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4S)-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-27-15-10-8-7-9-13(15)17-14(11-22)20(30-12-16(24)28-5-2)23-19(25)18(17)21(26)29-6-3/h7-10,17-18H,4-6,12H2,1-3H3,(H,23,25)/t17-,18-/m0/s1