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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-(2-nosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H25N3O10S MolecularWeight: 547.5344

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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)[N+](=O)[O-])CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCC(=O)O)C

InChI

InChI=1S/C24H25N3O10S/c1-3-36-23(30)21-15(2)26(14-6-9-20(28)29)24(31)25-22(21)18-7-4-5-8-19(18)37-38(34,35)17-12-10-16(11-13-17)27(32)33/h4-5,7-8,10-13,22H,3,6,9,14H2,1-2H3,(H,25,31)(H,28,29)