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

Systemtic Name: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-5-cyano-4-(4-methoxycarbonylphenyl)-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-4-(4-carbomethoxyphenyl)-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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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)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)OC)C

InChI

InChI=1S/C21H22N2O6S/c1-5-29-21(26)17-12(2)23-19(30-11-16(24)27-3)15(10-22)18(17)13-6-8-14(9-7-13)20(25)28-4/h6-9,18,23H,5,11H2,1-4H3/t18-/m0/s1