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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C

InChI

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