methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6-fluoranylquinolin-2-yl)methoxy]indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6-fluoranylquinolin-2-yl)methoxy]indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6-fluoro-2-quinolyl)methoxy]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-[(6-fluoro-2-quinolinyl)methoxy]-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[(6-fluoroquinolin-2-yl)methoxy]indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-[(6-fluoro-2-quinolyl)methoxy]indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C35H36ClFN2O3S MolecularWeight: 619.188343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=C(C=C3)C=C(C=C4)F)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=C(C=C3)C=C(C=C4)F)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)OC

InChI

InChI=1S/C35H36ClFN2O3S/c1-34(2,3)43-32-28-18-27(42-21-26-13-9-23-17-25(37)12-15-29(23)38-26)14-16-30(28)39(20-22-7-10-24(36)11-8-22)31(32)19-35(4,5)33(40)41-6/h7-18H,19-21H2,1-6H3