ethyl 3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: ethyl 3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 3-keto-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid ethyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCOC(=O)CC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H13NO6S/c1-2-20-12(16)7-9(15)8-14-13(17)10-5-3-4-6-11(10)21(14,18)19/h3-6H,2,7-8H2,1H3