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

Systemtic Name: 3-[(2-ethyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Openeye Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid CAS Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid IUPAC Name: 3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoic acid Traditional Name: 3-[(2-ethyl-3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]butyric acid Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)O

Isomeric SMILES

CCC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)O

InChI

InChI=1S/C14H17NO5S2/c1-3-11-14(18)15-10-7-9(4-5-12(10)21-11)22(19,20)8(2)6-13(16)17/h4-5,7-8,11H,3,6H2,1-2H3,(H,15,18)(H,16,17)