3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propyl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-propyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C27H34ClNO2S MolecularWeight: 472.08236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H34ClNO2S/c1-7-8-18-11-14-22-21(15-18)24(32-26(2,3)4)23(16-27(5,6)25(30)31)29(22)17-19-9-12-20(28)13-10-19/h9-15H,7-8,16-17H2,1-6H3,(H,30,31)