[2-(diethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxylic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N2O5S/c1-3-22(4-2)18(23)13-27-20(24)15-6-5-9-21-19(15)28-14-7-8-16-17(12-14)26-11-10-25-16/h5-9,12H,3-4,10-11,13H2,1-2H3