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

Systemtic Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]ethoxy]ethanoic acid Openeye Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]ethoxy]acetic acid CAS Name: 2-[2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]ethoxy]acetic acid IUPAC Name: 2-[2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]ethoxy]acetic acid Traditional Name: 2-[2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]ethoxy]acetic acid Formula: C26H32ClNO3S MolecularWeight: 474.05518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClNO3S/c1-17(2)19-8-11-22-21(14-19)25(32-26(3,4)5)23(12-13-31-16-24(29)30)28(22)15-18-6-9-20(27)10-7-18/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,29,30)