methyl 3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)benzoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)benzoate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)benzoate Traditional Name: 3-[(piperonylthio)methyl]benzoic acid methyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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