methyl 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(piperonylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-23-19(22)15-5-2-13(3-6-15)9-20-18(21)11-26-10-14-4-7-16-17(8-14)25-12-24-16/h2-8H,9-12H2,1H3,(H,20,21)