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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-indol-1-yl)carbothioyl 2-bromanylpropanoate Openeye Name: (3,3-dimethyl-2-oxo-indoline-1-carbothioyl) 2-bromopropanoate CAS Name: 2-bromopropanoic acid [(3,3-dimethyl-2-oxo-1-indolyl)-sulfanylidenemethyl] ester IUPAC Name: (3,3-dimethyl-2-oxoindole-1-carbothioyl) 2-bromopropanoate Traditional Name: 2-bromopropionic acid (2-keto-3,3-dimethyl-indoline-1-carbothioyl) ester Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=S)N1C2=CC=CC=C2C(C1=O)(C)C)Br

Isomeric SMILES

CC(C(=O)OC(=S)N1C2=CC=CC=C2C(C1=O)(C)C)Br

InChI

InChI=1S/C14H14BrNO3S/c1-8(15)11(17)19-13(20)16-10-7-5-4-6-9(10)14(2,3)12(16)18/h4-8H,1-3H3