4-[5-methoxycarbonyl-4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[5-methoxycarbonyl-4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-methoxycarbonyl-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-methoxycarbonyl-4-methyl-6-[2-(2-naphthalenylsulfonyloxy)phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-methoxycarbonyl-4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-2-keto-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C27H26N2O8S MolecularWeight: 538.56894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C27H26N2O8S/c1-17-24(26(32)36-2)25(28-27(33)29(17)15-7-12-23(30)31)21-10-5-6-11-22(21)37-38(34,35)20-14-13-18-8-3-4-9-19(18)16-20/h3-6,8-11,13-14,16,25H,7,12,15H2,1-2H3,(H,28,33)(H,30,31)