3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(1-quinolin-2-ylethoxy)indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(1-quinolin-2-ylethoxy)indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-[1-(2-quinolyl)ethoxy]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-[1-(2-quinolinyl)ethoxy]-2-indolyl]-2,2-dimethylpropanoate IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(1-quinolin-2-ylethoxy)indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-[1-(2-quinolyl)ethoxy]indol-2-yl]-2,2-dimethyl-propionate Formula: C35H36ClN2O3S- MolecularWeight: 600.18994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)N(C(=C4SC(C)(C)C)CC(C)(C)C(=O)[O-])CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)N(C(=C4SC(C)(C)C)CC(C)(C)C(=O)[O-])CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C35H37ClN2O3S/c1-22(28-17-13-24-9-7-8-10-29(24)37-28)41-26-16-18-30-27(19-26)32(42-34(2,3)4)31(20-35(5,6)33(39)40)38(30)21-23-11-14-25(36)15-12-23/h7-19,22H,20-21H2,1-6H3,(H,39,40)/p-1