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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-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-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C14H15N3O4S/c1-22-10-4-2-3-9(7-10)15-13(19)8-21-14(20)11-5-6-12(18)17-16-11/h2-4,7H,5-6,8H2,1H3,(H,15,19)(H,17,18)