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

Systemtic Name: 4-[4-ethyl-5-methoxycarbonyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[4-ethyl-5-methoxycarbonyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-ethyl-5-methoxycarbonyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-ethyl-5-methoxycarbonyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-4-ethyl-2-keto-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:

CCC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC

InChI

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