[6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate Openeye Name: [6-(4-ethoxy-2-oxo-pyrimidin-1-yl)-2-phenyl-7-(p-tolylsulfonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-ethoxy-2-oxo-1-pyrimidinyl)-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [6-(4-ethoxy-2-oxopyrimidin-1-yl)-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(4-ethoxy-2-keto-pyrimidin-1-yl)-2-phenyl-7-tosyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C33H34N2O11S2 MolecularWeight: 698.75986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=O)N(C=C1)C2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CCOC1=NC(=O)N(C=C1)C2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C33H34N2O11S2/c1-4-41-27-18-19-35(33(36)34-27)31-30(46-48(39,40)25-16-12-22(3)13-17-25)29(45-47(37,38)24-14-10-21(2)11-15-24)28-26(43-31)20-42-32(44-28)23-8-6-5-7-9-23/h5-19,26,28-32H,4,20H2,1-3H3