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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl ethanoate Openeye Name: [1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]sulfanyl acetate CAS Name: acetic acid [2-(1,3-benzodioxol-5-yl)propan-2-ylthio] ester IUPAC Name: 2-(1,3-benzodioxol-5-yl)propan-2-ylsulfanyl acetate Traditional Name: acetic acid [[1-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]thio] ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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