2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl ethanoate

Systemtic Name: 2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl ethanoate Openeye Name: 2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate CAS Name: acetic acid [2-(6-propyl-1,3-benzodioxol-5-yl)ethylthio] ester IUPAC Name: 2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate Traditional Name: acetic acid [2-(6-propyl-1,3-benzodioxol-5-yl)ethylthio] ester Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CCSOC(=O)C)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1CCSOC(=O)C)OCO2

InChI

InChI=1S/C14H18O4S/c1-3-4-11-7-13-14(17-9-16-13)8-12(11)5-6-19-18-10(2)15/h7-8H,3-6,9H2,1-2H3