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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-(methylthio)butyric acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H17NO5S/c1-21-7-6-9(14(17)18)15-13(16)12-8-19-10-4-2-3-5-11(10)20-12/h2-5,9,12H,6-8H2,1H3,(H,15,16)(H,17,18)