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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piperonylcarbamoylamino)butyrate Formula: C14H17N2O5S- MolecularWeight: 325.36018

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O5S/c1-22-5-4-10(13(17)18)16-14(19)15-7-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t10-/m0/s1