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

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C26H29N3O10S MolecularWeight: 575.58756

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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=CC=C3[N+](=O)[O-])CCCCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O10S/c1-3-38-25(32)23-17(2)28(16-10-4-5-15-22(30)31)26(33)27-24(23)18-11-6-8-13-20(18)39-40(36,37)21-14-9-7-12-19(21)29(34)35/h6-9,11-14,24H,3-5,10,15-16H2,1-2H3,(H,27,33)(H,30,31)