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

Systemtic Name: dimethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]oxy]propanedioate Openeye Name: dimethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]propanedioate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]propanedioate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)oxy]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)OC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)C(C(=O)OC)OC1=NS(=O)(=O)C2=CC=CC=C21

InChI

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