ethyl 1-[5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N3O4S/c1-3-31-25(30)19-12-14-28(15-13-19)24(29)22-10-8-20(32-22)16-33-23-11-9-21(26-27-23)18-6-4-17(2)5-7-18/h4-11,19H,3,12-16H2,1-2H3