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

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl 3-oxidanylidenebutanoate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=O)CC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H11NO6S/c1-8(14)6-11(15)19-7-13-12(16)9-4-2-3-5-10(9)20(13,17)18/h2-5H,6-7H2,1H3