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

Systemtic Name: ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-4-isobutyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-anilino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-4-isobutyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SCC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C22H27N3O3S/c1-5-28-22(27)20-15(4)24-21(18(12-23)17(20)11-14(2)3)29-13-19(26)25-16-9-7-6-8-10-16/h6-10,14,17,24H,5,11,13H2,1-4H3,(H,25,26)