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

Systemtic Name: 2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-hydroxy-3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-2-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 2-hydroxy-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid Traditional Name: 2-hydroxy-3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-[4-(methylthio)phenyl]propionic acid Formula: C29H29NO5S2 MolecularWeight: 535.67426

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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)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)O)S(=O)(=O)C

InChI

InChI=1S/C29H29NO5S2/c1-28(2,37(4,34)35)23-16-21-9-6-14-30-26(21)25(17-23)20-8-5-7-19(15-20)18-29(33,27(31)32)22-10-12-24(36-3)13-11-22/h5-17,33H,18H2,1-4H3,(H,31,32)