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

Systemtic Name: (4-butylcyclohexyl)methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-butylcyclohexyl)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-butylcyclohexyl)methyl ester IUPAC Name: (4-butylcyclohexyl)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-butylcyclohexyl)methyl ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)COC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCC1CCC(CC1)COC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H32N2O5S/c1-2-3-4-15-5-7-16(8-6-15)13-27-20(24)18-9-10-19(23)22(21-18)17-11-12-28(25,26)14-17/h15-17H,2-14H2,1H3