1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid

Systemtic Name: 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid Openeye Name: 1-(2-tert-butoxy-2-oxo-ethyl)-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid CAS Name: 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-(trifluoromethylsulfonylamino)-2-indolecarboxylic acid IUPAC Name: 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-(trifluoromethylsulfonylamino)indole-2-carboxylic acid Traditional Name: 1-(2-tert-butoxy-2-keto-ethyl)-5-(triflylamino)indole-2-carboxylic acid Formula: C16H17F3N2O6S MolecularWeight: 422.37619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C(F)(F)F)C=C1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)NS(=O)(=O)C(F)(F)F)C=C1C(=O)O

InChI

InChI=1S/C16H17F3N2O6S/c1-15(2,3)27-13(22)8-21-11-5-4-10(20-28(25,26)16(17,18)19)6-9(11)7-12(21)14(23)24/h4-7,20H,8H2,1-3H3,(H,23,24)