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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO5S/c1-12-3-5-14(19(22)23-2)8-15(12)20-18(21)10-26-9-13-4-6-16-17(7-13)25-11-24-16/h3-8H,9-11H2,1-2H3,(H,20,21)