(3,3-dimethyl-2-oxidanylidene-indol-1-yl)sulfinyl 2-bromanylpropanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-indol-1-yl)sulfinyl 2-bromanylpropanoate Openeye Name: (3,3-dimethyl-2-oxo-indolin-1-yl)sulfinyl 2-bromopropanoate CAS Name: 2-bromopropanoic acid (3,3-dimethyl-2-oxo-1-indolyl)sulfinyl ester IUPAC Name: (3,3-dimethyl-2-oxoindol-1-yl)sulfinyl 2-bromopropanoate Traditional Name: 2-bromopropionic acid (2-keto-3,3-dimethyl-indolin-1-yl)sulfinyl ester Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OS(=O)N1C2=CC=CC=C2C(C1=O)(C)C)Br

Isomeric SMILES

CC(C(=O)OS(=O)N1C2=CC=CC=C2C(C1=O)(C)C)Br

InChI

InChI=1S/C13H14BrNO4S/c1-8(14)11(16)19-20(18)15-10-7-5-4-6-9(10)13(2,3)12(15)17/h4-8H,1-3H3