[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylcarbonylsulfanylmethyl)oxolan-3-yl] benzoate

Systemtic Name: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylcarbonylsulfanylmethyl)oxolan-3-yl] benzoate Openeye Name: [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-[(benzoylthio)methyl]-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [2-(benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [2-[(benzoylthio)methyl]-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C23H19FN2O6S MolecularWeight: 470.470163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19FN2O6S/c24-16-12-26(23(30)25-20(16)27)19-11-17(32-21(28)14-7-3-1-4-8-14)18(31-19)13-33-22(29)15-9-5-2-6-10-15/h1-10,12,17-19H,11,13H2,(H,25,27,30)