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

Systemtic Name: 2-(2-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl ethanoate Openeye Name: 2-(2-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate CAS Name: acetic acid [2-(2-methyl-1,3-benzodioxol-5-yl)ethylthio] ester IUPAC Name: 2-(2-methyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate Traditional Name: acetic acid [2-(2-methyl-1,3-benzodioxol-5-yl)ethylthio] ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC2=C(O1)C=C(C=C2)CCSOC(=O)C

Isomeric SMILES

CC1OC2=C(O1)C=C(C=C2)CCSOC(=O)C

InChI

InChI=1S/C12H14O4S/c1-8(13)16-17-6-5-10-3-4-11-12(7-10)15-9(2)14-11/h3-4,7,9H,5-6H2,1-2H3