ethyl (4S)-6-methyl-2-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-methyl-2-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-methyl-2-thioxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-methyl-2-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-2-thioxo-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15F3N2O2S MolecularWeight: 344.35201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N2O2S/c1-3-22-13(21)11-8(2)19-14(23)20-12(11)9-5-4-6-10(7-9)15(16,17)18/h4-7,12H,3H2,1-2H3,(H2,19,20,23)/t12-/m0/s1