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

Systemtic Name: 3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]butanoic acid Openeye Name: 3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid CAS Name: 3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]butanoic acid IUPAC Name: 3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid Traditional Name: 3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]butyric acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-7(4-12(17)18)14-13(19)8-2-3-10-9(5-8)15-11(16)6-20-10/h2-3,5,7H,4,6H2,1H3,(H,14,19)(H,15,16)(H,17,18)