2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(2,5-dimethyl-3-furoyl)amino]-4-mesyl-butyric acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO6S/c1-7-6-9(8(2)19-7)11(14)13-10(12(15)16)4-5-20(3,17)18/h6,10H,4-5H2,1-3H3,(H,13,14)(H,15,16)