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

Systemtic Name: 3-[3-(trifluoromethyloxy)phenyl]propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-[3-(trifluoromethoxy)phenyl]propyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-[3-(trifluoromethoxy)phenyl]propyl ester IUPAC Name: 3-[3-(trifluoromethoxy)phenyl]propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-[3-(trifluoromethoxy)phenyl]propyl ester Formula: C16H17F3N2O3S MolecularWeight: 374.37799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CC(=CC=C2)OC(F)(F)F

InChI

InChI=1S/C16H17F3N2O3S/c1-10-13(9-20-15(25)21-10)14(22)23-7-3-5-11-4-2-6-12(8-11)24-16(17,18)19/h2,4,6,8H,3,5,7,9H2,1H3,(H2,20,21,25)