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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-9(2)8-19-12(15)7-14-13(16)10-5-3-4-6-11(10)20(14,17)18/h3-6,9H,7-8H2,1-2H3