ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H24N2O5S/c1-4-33-26(31)22-16(2)28-24(34-15-21(29)17-8-6-5-7-9-17)20(14-27)23(22)18-10-12-19(13-11-18)25(30)32-3/h5-13,23,28H,4,15H2,1-3H3