methyl 4-ethyl-6-(4-methoxycarbonylphenyl)-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-ethyl-6-(4-methoxycarbonylphenyl)-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-ethyl-6-(4-methoxycarbonylphenyl)-2-thioxo-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-ethyl-6-(4-methoxycarbonylphenyl)-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-6-(4-methoxycarbonylphenyl)-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-carbomethoxyphenyl)-4-ethyl-2-thioxo-3-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H21F3N2O4S MolecularWeight: 478.48405

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H21F3N2O4S/c1-4-16-18(21(30)32-3)19(13-9-11-14(12-10-13)20(29)31-2)27-22(33)28(16)17-8-6-5-7-15(17)23(24,25)26/h5-12,19H,4H2,1-3H3,(H,27,33)