4-[[5-methoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-methoxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbomethoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C28H26N2O8S MolecularWeight: 550.57964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CC4=CC=C(C=C4)C(=O)O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CC4=CC=C(C=C4)C(=O)O)C)C(=O)OC

InChI

InChI=1S/C28H26N2O8S/c1-17-8-14-21(15-9-17)39(35,36)38-23-7-5-4-6-22(23)25-24(27(33)37-3)18(2)30(28(34)29-25)16-19-10-12-20(13-11-19)26(31)32/h4-15,25H,16H2,1-3H3,(H,29,34)(H,31,32)