ethyl (2S)-3,4-dimethyl-2-(4-methylphenyl)-6-oxidanylidene-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (2S)-3,4-dimethyl-2-(4-methylphenyl)-6-oxidanylidene-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (2S)-3,4-dimethyl-6-oxo-2-(p-tolyl)-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate CAS Name: (2S)-3,4-dimethyl-2-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-3,4-dimethyl-2-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate Traditional Name: (2S)-6-keto-3,4-dimethyl-2-(p-tolyl)-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19F3N2O3 MolecularWeight: 356.33957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(NC1=O)(C2=CC=C(C=C2)C)C(F)(F)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(N([C@@](NC1=O)(C2=CC=C(C=C2)C)C(F)(F)F)C)C

InChI

InChI=1S/C17H19F3N2O3/c1-5-25-15(24)13-11(3)22(4)16(17(18,19)20,21-14(13)23)12-8-6-10(2)7-9-12/h6-9H,5H2,1-4H3,(H,21,23)/t16-/m0/s1