ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-isobutyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-isobutyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)N)C

InChI

InChI=1S/C16H23N3O3S/c1-5-22-16(21)14-10(4)19-15(23-8-13(18)20)12(7-17)11(14)6-9(2)3/h9,11,19H,5-6,8H2,1-4H3,(H2,18,20)