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

Systemtic Name: (phenylmethyl) 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-2-thioxo-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C14H13F3N2O2S MolecularWeight: 330.32543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H13F3N2O2S/c1-8-10(11(14(15,16)17)19-13(22)18-8)12(20)21-7-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,18,19,22)