6-tert-butyl-5-sulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 6-tert-butyl-5-sulfanyl-1H-indole-2-carboxylic acid Openeye Name: 6-tert-butyl-5-sulfanyl-1H-indole-2-carboxylic acid CAS Name: 6-tert-butyl-5-mercapto-1H-indole-2-carboxylic acid IUPAC Name: 6-tert-butyl-5-sulfanyl-1H-indole-2-carboxylic acid Traditional Name: 6-tert-butyl-5-mercapto-1H-indole-2-carboxylic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C=C(NC2=C1)C(=O)O)S

Isomeric SMILES

CC(C)(C)C1=C(C=C2C=C(NC2=C1)C(=O)O)S

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)8-6-9-7(5-11(8)17)4-10(14-9)12(15)16/h4-6,14,17H,1-3H3,(H,15,16)