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

Systemtic Name: 4-[[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbobenzoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C34H30N2O8S MolecularWeight: 626.6756

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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)OCC5=CC=CC=C5

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)OCC5=CC=CC=C5

InChI

InChI=1S/C34H30N2O8S/c1-22-12-18-27(19-13-22)45(41,42)44-29-11-7-6-10-28(29)31-30(33(39)43-21-25-8-4-3-5-9-25)23(2)36(34(40)35-31)20-24-14-16-26(17-15-24)32(37)38/h3-19,31H,20-21H2,1-2H3,(H,35,40)(H,37,38)