ethyl 4-oxidanyl-6-pyridin-4-yl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-oxidanyl-6-pyridin-4-yl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-hydroxy-6-(4-pyridyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-hydroxy-6-pyridin-4-yl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-6-pyridin-4-yl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 4-hydroxy-6-(4-pyridyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H14F3N3O3S MolecularWeight: 349.32877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC=NC=C2

InChI

InChI=1S/C13H14F3N3O3S/c1-2-22-10(20)8-9(7-3-5-17-6-4-7)18-11(23)19-12(8,21)13(14,15)16/h3-6,8-9,21H,2H2,1H3,(H2,18,19,23)