1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(CC)SOC(=O)C)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1C(CC)SOC(=O)C)OCO2

InChI

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