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

Systemtic Name: 6-tert-butyl-5-thiocyanato-1H-indole-2-carboxylic acid Openeye Name: 6-tert-butyl-5-thiocyanato-1H-indole-2-carboxylic acid CAS Name: 6-tert-butyl-5-thiocyanato-1H-indole-2-carboxylic acid IUPAC Name: 6-tert-butyl-5-thiocyanato-1H-indole-2-carboxylic acid Traditional Name: 6-tert-butyl-5-thiocyanato-1H-indole-2-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C=C(NC2=C1)C(=O)O)SC#N

Isomeric SMILES

CC(C)(C)C1=C(C=C2C=C(NC2=C1)C(=O)O)SC#N

InChI

InChI=1S/C14H14N2O2S/c1-14(2,3)9-6-10-8(5-12(9)19-7-15)4-11(16-10)13(17)18/h4-6,16H,1-3H3,(H,17,18)