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

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C27H32N2O8S MolecularWeight: 544.61658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)CCCCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)CCCCCC(=O)O)C

InChI

InChI=1S/C27H32N2O8S/c1-4-36-26(32)24-19(3)29(17-9-5-6-12-23(30)31)27(33)28-25(24)21-10-7-8-11-22(21)37-38(34,35)20-15-13-18(2)14-16-20/h7-8,10-11,13-16,25H,4-6,9,12,17H2,1-3H3,(H,28,33)(H,30,31)