(2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(1,3-benzodioxole-5-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(1,3-benzodioxole-5-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piperonyloylamino)butyrate Formula: C13H14NO5S- MolecularWeight: 296.31896

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO5S/c1-20-5-4-9(13(16)17)14-12(15)8-2-3-10-11(6-8)19-7-18-10/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1