methyl 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate

Systemtic Name: methyl 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butanoate Openeye Name: methyl 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate CAS Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyric acid methyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

COC(=O)CCCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C12H13NO5S/c1-18-11(14)7-4-8-13-12(15)9-5-2-3-6-10(9)19(13,16)17/h2-3,5-6H,4,7-8H2,1H3