3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid CAS Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonylamino]propionic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NCCC(=O)O)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NCCC(=O)O)OCC(=O)N2

InChI

InChI=1S/C12H14N2O6S/c1-7-4-8-9(20-6-11(15)14-8)5-10(7)21(18,19)13-3-2-12(16)17/h4-5,13H,2-3,6H2,1H3,(H,14,15)(H,16,17)