ethyl 1-[4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzoyl]isonipecotic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O4S/c1-3-33-26(32)20-14-16-28(17-15-20)25(31)19-6-8-21(9-7-19)29-24(30)13-12-23(27-29)34-22-10-4-18(2)5-11-22/h4-13,20H,3,14-17H2,1-2H3