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

Systemtic Name: methyl 6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(2-methoxycarbonylphenyl)-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methoxycarbonylphenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-carbomethoxyphenyl)-4-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H19F3N2O4S MolecularWeight: 464.45747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H19F3N2O4S/c1-12-17(20(29)31-3)18(15-9-4-5-10-16(15)19(28)30-2)26-21(32)27(12)14-8-6-7-13(11-14)22(23,24)25/h4-11,18H,1-3H3,(H,26,32)