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

Systemtic Name: 2-[3-(trifluoromethyloxy)phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-[3-(trifluoromethoxy)phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-[3-(trifluoromethoxy)phenyl]ethyl ester IUPAC Name: 2-[3-(trifluoromethoxy)phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-[3-(trifluoromethoxy)phenyl]ethyl ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C16H17F3N2O4S/c1-9-13(12(8-22)21-15(26)20-9)14(23)24-6-5-10-3-2-4-11(7-10)25-16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3,(H2,20,21,26)