ethyl 5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)thio]-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-6-[(2-keto-3,3-dimethyl-butyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C24H28N2O5S/c1-7-31-23(29)19-14(2)26-21(32-13-18(27)24(3,4)5)17(12-25)20(19)15-8-10-16(11-9-15)22(28)30-6/h8-11,20,26H,7,13H2,1-6H3