[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-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-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-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-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C14H14ClN3O6S MolecularWeight: 387.79546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C14H14ClN3O6S/c1-25(22,23)8-2-3-9(15)11(6-8)16-13(20)7-24-14(21)10-4-5-12(19)18-17-10/h2-3,6H,4-5,7H2,1H3,(H,16,20)(H,18,19)