[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanyl ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanyl ethanoate Openeye Name: [1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]sulfanyl acetate CAS Name: acetic acid [[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]thio] ester IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfanyl acetate Traditional Name: acetic acid [[1-(1,3-benzodioxol-5-yl)-2-methyl-propyl]thio] ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCO2)SOC(=O)C

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCO2)SOC(=O)C

InChI

InChI=1S/C13H16O4S/c1-8(2)13(18-17-9(3)14)10-4-5-11-12(6-10)16-7-15-11/h4-6,8,13H,7H2,1-3H3