2-[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)butylthio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[1-(1,3-benzodioxol-5-yl)butylthio]acetyl]amino]acetic acid Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)NCC(=O)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)NCC(=O)O

InChI

InChI=1S/C15H19NO5S/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)