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

Systemtic Name: 2-methoxyethyl 4-methyl-3-phenyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 4-methyl-3-phenyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-phenyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-methyl-3-phenyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-phenyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H21F3N2O3S MolecularWeight: 450.47395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O3S/c1-14-18(20(28)30-12-11-29-2)19(15-7-6-8-16(13-15)22(23,24)25)26-21(31)27(14)17-9-4-3-5-10-17/h3-10,13,19H,11-12H2,1-2H3,(H,26,31)