2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 4-methylsulfonyl-2-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[[5-[(methylthio)methyl]-2-furoyl]amino]butyric acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H17NO6S2/c1-20-7-8-3-4-10(19-8)11(14)13-9(12(15)16)5-6-21(2,17)18/h3-4,9H,5-7H2,1-2H3,(H,13,14)(H,15,16)