3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid

Systemtic Name: 3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Openeye Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid CAS Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid IUPAC Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Traditional Name: 3-[(3-keto-2-methyl-4H-1,4-benzothiazin-6-yl)sulfonyl]butyric acid Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)O

InChI

InChI=1S/C13H15NO5S2/c1-7(5-12(15)16)21(18,19)9-3-4-11-10(6-9)14-13(17)8(2)20-11/h3-4,6-8H,5H2,1-2H3,(H,14,17)(H,15,16)