ethyl (3R,4R)-3-cyano-6-methyl-4-(2-methylpropyl)-2-methylsulfanyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl (3R,4R)-3-cyano-6-methyl-4-(2-methylpropyl)-2-methylsulfanyl-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl (3R,4R)-3-cyano-4-isobutyl-6-methyl-2-methylsulfanyl-3,4-dihydropyridine-5-carboxylate CAS Name: (3R,4R)-3-cyano-6-methyl-4-(2-methylpropyl)-2-(methylthio)-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-cyano-6-methyl-4-(2-methylpropyl)-2-methylsulfanyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (3R,4R)-3-cyano-4-isobutyl-6-methyl-2-(methylthio)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(C1CC(C)C)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C([C@H]([C@H]1CC(C)C)C#N)SC)C

InChI

InChI=1S/C15H22N2O2S/c1-6-19-15(18)13-10(4)17-14(20-5)12(8-16)11(13)7-9(2)3/h9,11-12H,6-7H2,1-5H3/t11-,12+/m1/s1