[5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H18N2O8S MolecularWeight: 434.41982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C(=O)NC3=O)C#C

Isomeric SMILES

CS(=O)(=O)OC1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C(=O)NC3=O)C#C

InChI

InChI=1S/C19H18N2O8S/c1-3-12-10-21(19(24)20-17(12)22)16-9-14(29-30(2,25)26)15(28-16)11-27-18(23)13-7-5-4-6-8-13/h1,4-8,10,14-16H,9,11H2,2H3,(H,20,22,24)