(2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-4-(methylthio)butyrate Formula: C14H16NO5S- MolecularWeight: 310.34554

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H]1COC2=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)/p-1/t9-,12+/m0/s1