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

Systemtic Name: 1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl ethanoate Openeye Name: 1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate CAS Name: acetic acid [1-(6-methyl-1,3-benzodioxol-5-yl)ethylthio] ester IUPAC Name: 1-(6-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate Traditional Name: acetic acid [1-(6-methyl-1,3-benzodioxol-5-yl)ethylthio] ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(C)SOC(=O)C)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(C)SOC(=O)C)OCO2

InChI

InChI=1S/C12H14O4S/c1-7-4-11-12(15-6-14-11)5-10(7)8(2)17-16-9(3)13/h4-5,8H,6H2,1-3H3