2-(1,3-benzodioxol-5-yl)butan-2-ylsulfanyl ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-4-13(3,18-17-9(2)14)10-5-6-11-12(7-10)16-8-15-11/h5-7H,4,8H2,1-3H3