methyl 5-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H9F3N2O4S MolecularWeight: 334.27107

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O4S/c1-20-10(19)7-3-2-6(21-7)5-22-11-16-8(12(13,14)15)4-9(18)17-11/h2-4H,5H2,1H3,(H,16,17,18)