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

Systemtic Name: 5-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 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-furancarboxylate IUPAC Name: 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]-2-furoate Formula: C11H6F3N2O4S- MolecularWeight: 319.23655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H7F3N2O4S/c12-11(13,14)7-3-8(17)16-10(15-7)21-4-5-1-2-6(20-5)9(18)19/h1-3H,4H2,(H,18,19)(H,15,16,17)/p-1