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

Systemtic Name: 3-[4-(trifluoromethyl)phenyl]propyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-[4-(trifluoromethyl)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-[4-(trifluoromethyl)phenyl]propyl ester IUPAC Name: 3-[4-(trifluoromethyl)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-[4-(trifluoromethyl)phenyl]propyl ester Formula: C16H17F3N2O2S MolecularWeight: 358.37859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N2O2S/c1-10-13(9-20-15(24)21-10)14(22)23-8-2-3-11-4-6-12(7-5-11)16(17,18)19/h4-7H,2-3,8-9H2,1H3,(H2,20,21,24)