2-(1,3-benzodioxol-5-yl)ethylsulfanyl propanoate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethylsulfanyl propanoate Openeye Name: 2-(1,3-benzodioxol-5-yl)ethylsulfanyl propanoate CAS Name: propanoic acid [2-(1,3-benzodioxol-5-yl)ethylthio] ester IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethylsulfanyl propanoate Traditional Name: propionic acid (homopiperonylthio) ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OSCCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(=O)OSCCC1=CC2=C(C=C1)OCO2

InChI

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