diethyl 2-[[2-(4-imidazol-1-ylphenyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[[2-(4-imidazol-1-ylphenyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[[2-(4-imidazol-1-ylphenyl)-2-oxo-ethyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[2-[4-(1-imidazolyl)phenyl]-2-oxoethyl]thio]methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[2-(4-imidazol-1-ylphenyl)-2-oxoethyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[[2-(4-imidazol-1-ylphenyl)-2-keto-ethyl]thio]methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C31H30F3N3O5S MolecularWeight: 613.64721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC)CSCC(=O)C3=CC=C(C=C3)N4C=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC)CSCC(=O)C3=CC=C(C=C3)N4C=CN=C4)C

InChI

InChI=1S/C31H30F3N3O5S/c1-4-41-29(39)26-19(3)36-24(16-43-17-25(38)20-9-11-23(12-10-20)37-14-13-35-18-37)28(30(40)42-5-2)27(26)21-7-6-8-22(15-21)31(32,33)34/h6-15,18,27,36H,4-5,16-17H2,1-3H3