1-[3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(1,3-benzodioxol-5-ylmethylthio)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-4-methoxyphenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(piperonylthio)methyl]phenyl]ethanone Formula: C18H18O4S MolecularWeight: 330.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O4S/c1-12(19)14-4-6-16(20-2)15(8-14)10-23-9-13-3-5-17-18(7-13)22-11-21-17/h3-8H,9-11H2,1-2H3