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

Systemtic Name: ethyl 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: ethyl 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid ethyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCOC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H13NO5S/c1-2-18-11(14)7-8-13-12(15)9-5-3-4-6-10(9)19(13,16)17/h3-6H,2,7-8H2,1H3