2-(4-methylsulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenoxy]ethanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenoxy]ethanoic acid Openeye Name: 2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenoxy]-2-(4-methylsulfanylphenyl)acetic acid CAS Name: 2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenoxy]-2-[4-(methylthio)phenyl]acetic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenoxy]acetic acid Traditional Name: 2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenoxy]-2-[4-(methylthio)phenyl]acetic acid Formula: C28H27NO5S2 MolecularWeight: 521.64768

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27NO5S2/c1-28(2,36(4,32)33)21-15-20-8-6-14-29-25(20)24(17-21)19-7-5-9-22(16-19)34-26(27(30)31)18-10-12-23(35-3)13-11-18/h5-17,26H,1-4H3,(H,30,31)