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

Systemtic Name: 3-methyl-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoic acid Traditional Name: 2-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonylamino]-3-methyl-butyric acid Formula: C13H16N2O6S MolecularWeight: 328.34094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C13H16N2O6S/c1-7(2)12(13(17)18)15-22(19,20)8-3-4-10-9(5-8)14-11(16)6-21-10/h3-5,7,12,15H,6H2,1-2H3,(H,14,16)(H,17,18)