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

Systemtic Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]thio]-2-methyl-propionic acid Formula: C26H32ClNO2S2 MolecularWeight: 490.12078

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H32ClNO2S2/c1-16(2)18-10-13-21-20(14-18)22(31-25(3,4)5)23(32-26(6,7)24(29)30)28(21)15-17-8-11-19(27)12-9-17/h8-14,16H,15H2,1-7H3,(H,29,30)