[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S/c20-14-7-6-13(18-19-14)16(22)23-10-15(21)17-8-9-24-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,21)(H,19,20)