diethyl 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanedioate CAS Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]malonic acid diethyl ester Formula: C12H13F3N2O5S MolecularWeight: 354.30223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C=C(N1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C=C(N1)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O5S/c1-3-21-9(19)8(10(20)22-4-2)23-11-16-6(12(13,14)15)5-7(18)17-11/h5,8H,3-4H2,1-2H3,(H,16,17,18)