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

Systemtic Name: ethyl 2-sulfanylidene-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-thioxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-sulfanylidene-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-sulfanylidene-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-thioxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19F3N2O5S MolecularWeight: 420.40337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)OC)OC)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)OC)OC)OC)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O5S/c1-5-27-15(23)11-12(21-16(28)22-14(11)17(18,19)20)8-6-9(24-2)13(26-4)10(7-8)25-3/h6-7,12H,5H2,1-4H3,(H2,21,22,28)