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

Systemtic Name: 3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoic acid Openeye Name: 3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid CAS Name: 3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid Traditional Name: 3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propionic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H12N2O4S/c15-10-6-19-9-2-1-7(5-8(9)14-10)12(18)13-4-3-11(16)17/h1-2,5H,3-4,6H2,(H,13,18)(H,14,15)(H,16,17)