4-methylsulfonyl-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[(6-oxopyran-3-carbonyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(6-oxopyran-3-carbonyl)amino]butanoic acid Traditional Name: 2-[(6-ketopyran-3-carbonyl)amino]-4-mesyl-butyric acid Formula: C11H13NO7S MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=COC(=O)C=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=COC(=O)C=C1

InChI

InChI=1S/C11H13NO7S/c1-20(17,18)5-4-8(11(15)16)12-10(14)7-2-3-9(13)19-6-7/h2-3,6,8H,4-5H2,1H3,(H,12,14)(H,15,16)