2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]ethoxy]propanoic acid

Systemtic Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]ethoxy]propanoic acid Openeye Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]ethoxy]propanoic acid CAS Name: 2-[2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]ethoxy]propanoic acid IUPAC Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]ethoxy]propanoic acid Traditional Name: 2-[2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]ethoxy]propionic acid Formula: C27H34ClNO3S MolecularWeight: 488.08176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClNO3S/c1-17(2)20-9-12-23-22(15-20)25(33-27(4,5)6)24(13-14-32-18(3)26(30)31)29(23)16-19-7-10-21(28)11-8-19/h7-12,15,17-18H,13-14,16H2,1-6H3,(H,30,31)