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

Systemtic Name: [6-(phenylmethyl)-1,3-benzodioxol-5-yl]methylsulfanyl ethanoate Openeye Name: (6-benzyl-1,3-benzodioxol-5-yl)methylsulfanyl acetate CAS Name: acetic acid [[6-(phenylmethyl)-1,3-benzodioxol-5-yl]methylthio] ester IUPAC Name: (6-benzyl-1,3-benzodioxol-5-yl)methylsulfanyl acetate Traditional Name: acetic acid [(6-benzyl-1,3-benzodioxol-5-yl)methylthio] ester Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OSCC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

Isomeric SMILES

CC(=O)OSCC1=CC2=C(C=C1CC3=CC=CC=C3)OCO2

InChI

InChI=1S/C17H16O4S/c1-12(18)21-22-10-15-9-17-16(19-11-20-17)8-14(15)7-13-5-3-2-4-6-13/h2-6,8-9H,7,10-11H2,1H3