6-tert-butyl-5-sulfanyl-2,3-dihydroindole-1-carboxylic acid

Systemtic Name: 6-tert-butyl-5-sulfanyl-2,3-dihydroindole-1-carboxylic acid Openeye Name: 6-tert-butyl-5-sulfanyl-indoline-1-carboxylic acid CAS Name: 6-tert-butyl-5-mercapto-2,3-dihydroindole-1-carboxylic acid IUPAC Name: 6-tert-butyl-5-sulfanyl-2,3-dihydroindole-1-carboxylic acid Traditional Name: 6-tert-butyl-5-mercapto-indoline-1-carboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2CCN(C2=C1)C(=O)O)S

Isomeric SMILES

CC(C)(C)C1=C(C=C2CCN(C2=C1)C(=O)O)S

InChI

InChI=1S/C13H17NO2S/c1-13(2,3)9-7-10-8(6-11(9)17)4-5-14(10)12(15)16/h6-7,17H,4-5H2,1-3H3,(H,15,16)