(4-methoxycarbonylphenyl)methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H20N2O7S/c1-26-17(22)13-4-2-12(3-5-13)10-27-18(23)15-6-7-16(21)20(19-15)14-8-9-28(24,25)11-14/h2-5,14H,6-11H2,1H3