[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[ethyl(piperonyl)amino]-2-keto-ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H20N2O5S/c1-3-21(10-13-6-7-15-16(9-13)26-12-25-15)17(22)11-24-19(23)14-5-4-8-20-18(14)27-2/h4-9H,3,10-12H2,1-2H3