ethyl 4-(3-methylphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methylphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(m-tolyl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methylphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylphenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(m-tolyl)-2-thioxo-6-(trifluoromethyl)-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)C(F)(F)F

Isomeric SMILES

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

InChI

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