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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C17H10F2N2O4S MolecularWeight: 376.334106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)F

InChI

InChI=1S/C17H10F2N2O4S/c18-11-3-1-4-12(19)15(11)16(23)25-14-8-24-10(7-13(14)22)9-26-17-20-5-2-6-21-17/h1-8H,9H2