2-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(3-keto-2,6-dimethyl-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C13H16N2O6S/c1-7-4-9-10(21-8(2)13(18)14-9)5-11(7)22(19,20)15(3)6-12(16)17/h4-5,8H,6H2,1-3H3,(H,14,18)(H,16,17)