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

Systemtic Name: 6-tert-butyl-5-thiocyanato-2,3-dihydroindole-1-carboxylic acid Openeye Name: 6-tert-butyl-5-thiocyanato-indoline-1-carboxylic acid CAS Name: 6-tert-butyl-5-thiocyanato-2,3-dihydroindole-1-carboxylic acid IUPAC Name: 6-tert-butyl-5-thiocyanato-2,3-dihydroindole-1-carboxylic acid Traditional Name: 6-tert-butyl-5-thiocyanato-indoline-1-carboxylic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2CCN(C2=C1)C(=O)O)SC#N

Isomeric SMILES

CC(C)(C)C1=C(C=C2CCN(C2=C1)C(=O)O)SC#N

InChI

InChI=1S/C14H16N2O2S/c1-14(2,3)10-7-11-9(6-12(10)19-8-15)4-5-16(11)13(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)