sodium 2-[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoylamino]ethanoate

Systemtic Name: sodium 2-[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoylamino]ethanoate Openeye Name: sodium 2-[[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetyl]amino]acetate CAS Name: sodium 2-[[2-[1-(1,3-benzodioxol-5-yl)butylthio]-1-oxoethyl]amino]acetate IUPAC Name: sodium 2-[[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetyl]amino]acetate Traditional Name: sodium 2-[[2-[1-(1,3-benzodioxol-5-yl)butylthio]acetyl]amino]acetate Formula: C15H18NNaO5S MolecularWeight: 347.36189

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C15H19NO5S.Na/c1-2-3-13(22-8-14(17)16-7-15(18)19)10-4-5-11-12(6-10)21-9-20-11;/h4-6,13H,2-3,7-9H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1