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

Systemtic Name: 3-methyl-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid Traditional Name: 2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-3-methyl-butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-7(2)12(14(19)20)16-13(18)8-3-4-10-9(5-8)15-11(17)6-21-10/h3-5,7,12H,6H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)