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

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=O)CC(=O)OCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H13NO6S/c1-9(15)8-12(16)20-7-6-14-13(17)10-4-2-3-5-11(10)21(14,18)19/h2-5H,6-8H2,1H3