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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=S)N1)C2=CC(=CC=C2)C(F)(F)F)C(=O)OC

InChI

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