3-oxidanylidenebutan-2-yl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid (2-keto-1-methyl-propyl) ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C(=O)C)OC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

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