methyl 3-oxidanylidene-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: methyl 3-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 3-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 3-keto-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid methyl ester Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=O)C(C(=O)OC)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H11NO6S/c1-7(14)10(12(16)19-2)13-11(15)8-5-3-4-6-9(8)20(13,17)18/h3-6,10H,1-2H3