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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C=CN(C2=C1)C(=O)O)S

Isomeric SMILES

CC(C)(C)C1=C(C=C2C=CN(C2=C1)C(=O)O)S

InChI

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