3-[[2-[4-methoxy-3-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]carbonyl-1-benzofuran-3-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[2-[4-methoxy-3-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]carbonyl-1-benzofuran-3-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[2-[4-methoxy-3-(o-tolylsulfonylcarbamoyl)benzoyl]benzofuran-3-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-[[4-methoxy-3-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]-oxomethyl]-3-benzofuranyl]methylthio]propanoic acid IUPAC Name: 3-[[2-[4-methoxy-3-[(2-methylphenyl)sulfonylcarbamoyl]benzoyl]-1-benzofuran-3-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[2-[4-methoxy-3-(o-tolylsulfonylcarbamoyl)benzoyl]benzofuran-3-yl]methylthio]propionic acid Formula: C28H25NO8S2 MolecularWeight: 567.63

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C=CC(=C2)C(=O)C3=C(C4=CC=CC=C4O3)CSCCC(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C=CC(=C2)C(=O)C3=C(C4=CC=CC=C4O3)CSCCC(=O)O)OC

InChI

InChI=1S/C28H25NO8S2/c1-17-7-3-6-10-24(17)39(34,35)29-28(33)20-15-18(11-12-22(20)36-2)26(32)27-21(16-38-14-13-25(30)31)19-8-4-5-9-23(19)37-27/h3-12,15H,13-14,16H2,1-2H3,(H,29,33)(H,30,31)