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

Systemtic Name: ethyl (6R)-3,4-dimethyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3,4-dimethyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3,4-dimethyl-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-2-thioxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)C(F)(F)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)C(F)(F)F)C)C

InChI

InChI=1S/C16H17F3N2O2S/c1-4-23-14(22)12-9(2)21(3)15(24)20-13(12)10-6-5-7-11(8-10)16(17,18)19/h5-8,13H,4H2,1-3H3,(H,20,24)/t13-/m1/s1