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

Systemtic Name: 3-oxidanyl-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]butyric acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c1-6(16)11(13(19)20)15-12(18)7-2-3-9-8(4-7)14-10(17)5-21-9/h2-4,6,11,16H,5H2,1H3,(H,14,17)(H,15,18)(H,19,20)