methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[4-(trifluoromethyloxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-thioxo-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-methoxyphenyl)-4-methyl-2-thioxo-6-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H19F3N2O4S/c1-12-17(19(27)29-3)18(13-4-8-16(9-5-13)30-21(22,23)24)25-20(31)26(12)14-6-10-15(28-2)11-7-14/h4-11,18H,1-3H3,(H,25,31)