1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl ethanoate

Systemtic Name: 1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl ethanoate Openeye Name: 1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl acetate CAS Name: acetic acid [1-(6-methyl-1,3-benzodioxol-5-yl)butylthio] ester IUPAC Name: 1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl acetate Traditional Name: acetic acid [1-(6-methyl-1,3-benzodioxol-5-yl)butylthio] ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1C)OCO2)SOC(=O)C

Isomeric SMILES

CCCC(C1=CC2=C(C=C1C)OCO2)SOC(=O)C

InChI

InChI=1S/C14H18O4S/c1-4-5-14(19-18-10(3)15)11-7-13-12(6-9(11)2)16-8-17-13/h6-7,14H,4-5,8H2,1-3H3