3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indole-2-carboxylic acid CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindole-2-carboxylic acid Traditional Name: 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indole-2-carboxylic acid Formula: C20H20ClNO3S MolecularWeight: 389.8957

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO3S/c1-20(2,3)26-18-15-10-14(23)8-9-16(15)22(17(18)19(24)25)11-12-4-6-13(21)7-5-12/h4-10,23H,11H2,1-3H3,(H,24,25)