2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethylsulfanyl ethanoate

Systemtic Name: 2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethylsulfanyl ethanoate Openeye Name: 2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate CAS Name: acetic acid [2-[6-(phenylmethyl)-1,3-benzodioxol-5-yl]ethylthio] ester IUPAC Name: 2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl acetate Traditional Name: acetic acid [2-(6-benzyl-1,3-benzodioxol-5-yl)ethylthio] ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OSCCC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

Isomeric SMILES

CC(=O)OSCCC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

InChI

InChI=1S/C18H18O4S/c1-13(19)22-23-8-7-15-10-17-18(21-12-20-17)11-16(15)9-14-5-3-2-4-6-14/h2-6,10-11H,7-9,12H2,1H3