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

Systemtic Name: ethyl 1-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-3-33-27(32)23-14-16-30(17-15-23)26(31)22-10-6-20(7-11-22)18-34-25-13-12-24(28-29-25)21-8-4-19(2)5-9-21/h4-13,23H,3,14-18H2,1-2H3