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

Systemtic Name: tert-butyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-13(2,3)19-11(15)8-14-12(16)9-6-4-5-7-10(9)20(14,17)18/h4-7H,8H2,1-3H3