2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-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)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCCO2

InChI

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