dimethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanedioate

Systemtic Name: dimethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanedioate Openeye Name: dimethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanedioate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanedioate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)malonic acid dimethyl ester Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO7S/c1-19-11(15)9(12(16)20-2)13-10(14)7-5-3-4-6-8(7)21(13,17)18/h3-6,9H,1-2H3