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

Systemtic Name: ethyl 6-propyl-2-sulfanylidene-4-[4-(trifluoromethyloxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-propyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-propyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-propyl-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-propyl-2-thioxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H19F3N2O3S/c1-3-5-12-13(15(23)24-4-2)14(22-16(26)21-12)10-6-8-11(9-7-10)25-17(18,19)20/h6-9,14H,3-5H2,1-2H3,(H2,21,22,26)