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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,4-bis(fluoranyl)benzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,4-difluorobenzoate Traditional Name: 3,4-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=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

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