2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid Openeye Name: 3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-2-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid Traditional Name: 3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-[4-(methylthio)phenyl]propionic acid Formula: C29H29NO4S2 MolecularWeight: 519.67486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C4=CC=C(C=C4)SC)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C4=CC=C(C=C4)SC)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C29H29NO4S2/c1-29(2,36(4,33)34)23-17-22-9-6-14-30-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(31)32)20-10-12-24(35-3)13-11-20/h5-15,17-18,26H,16H2,1-4H3,(H,31,32)