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

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,3-dihydrobenzofuran-5-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(coumaran-5-carbonylamino)-4-(methylthio)butyric acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-20-7-5-11(14(17)18)15-13(16)10-2-3-12-9(8-10)4-6-19-12/h2-3,8,11H,4-7H2,1H3,(H,15,16)(H,17,18)