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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(2-naphthalenylsulfonyloxy)phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-(2-naphthalen-2-ylsulfonyloxyphenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-[2-(2-naphthylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C28H28N2O8S MolecularWeight: 552.59552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCCC(=O)O)C

InChI

InChI=1S/C28H28N2O8S/c1-3-37-27(33)25-18(2)30(16-8-13-24(31)32)28(34)29-26(25)22-11-6-7-12-23(22)38-39(35,36)21-15-14-19-9-4-5-10-20(19)17-21/h4-7,9-12,14-15,17,26H,3,8,13,16H2,1-2H3,(H,29,34)(H,31,32)