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

Systemtic Name: ethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid ethyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H15NO5S/c1-3-10(13(16)19-4-2)14-12(15)9-7-5-6-8-11(9)20(14,17)18/h5-8,10H,3-4H2,1-2H3