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

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(piperonylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-22-18(21)13-3-5-14(6-4-13)19-17(20)10-25-9-12-2-7-15-16(8-12)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)