2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(coumaran-5-ylsulfonylamino)-4-(methylthio)butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC2

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCC2

InChI

InChI=1S/C13H17NO5S2/c1-20-7-5-11(13(15)16)14-21(17,18)10-2-3-12-9(8-10)4-6-19-12/h2-3,8,11,14H,4-7H2,1H3,(H,15,16)