3-[5-[[6,7-bis(fluoranyl)quinolin-2-yl]methoxy]-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[5-[[6,7-bis(fluoranyl)quinolin-2-yl]methoxy]-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6,7-difluoro-2-quinolyl)methoxy]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-[(6,7-difluoro-2-quinolinyl)methoxy]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6,7-difluoroquinolin-2-yl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-[(6,7-difluoro-2-quinolyl)methoxy]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C34H33ClF2N2O3S MolecularWeight: 623.152226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC(=C(C=C4C=C3)F)F)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC(=C(C=C4C=C3)F)F)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C34H33ClF2N2O3S/c1-33(2,3)43-31-25-15-24(42-19-23-11-8-21-14-26(36)27(37)16-28(21)38-23)12-13-29(25)39(18-20-6-9-22(35)10-7-20)30(31)17-34(4,5)32(40)41/h6-16H,17-19H2,1-5H3,(H,40,41)