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

Systemtic Name: methyl 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S/c1-17-10(13)6-7-12-11(14)8-4-2-3-5-9(8)18(12,15)16/h2-5H,6-7H2,1H3