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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C24H28ClNO3S MolecularWeight: 446.00202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C24H28ClNO3S/c1-23(2,3)30-21-18-12-17(27)10-11-19(18)26(14-15-6-8-16(25)9-7-15)20(21)13-24(4,5)22(28)29/h6-12,27H,13-14H2,1-5H3,(H,28,29)