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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C25H28N2O8S MolecularWeight: 516.56342

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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)CCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O8S/c1-4-34-24(30)22-17(3)27(15-7-10-21(28)29)25(31)26-23(22)19-8-5-6-9-20(19)35-36(32,33)18-13-11-16(2)12-14-18/h5-6,8-9,11-14,23H,4,7,10,15H2,1-3H3,(H,26,31)(H,28,29)