[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C19H10F6N2O4S MolecularWeight: 476.349119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H10F6N2O4S/c20-18(21,22)11-4-10(5-12(6-11)19(23,24)25)16(29)31-15-8-30-13(7-14(15)28)9-32-17-26-2-1-3-27-17/h1-8H,9H2