3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid

Systemtic Name: 3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Openeye Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid CAS Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid IUPAC Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Traditional Name: 3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]butyric acid Formula: C12H13NO5S2 MolecularWeight: 315.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2

Isomeric SMILES

CC(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2

InChI

InChI=1S/C12H13NO5S2/c1-7(4-12(15)16)20(17,18)8-2-3-10-9(5-8)13-11(14)6-19-10/h2-3,5,7H,4,6H2,1H3,(H,13,14)(H,15,16)