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

Systemtic Name: ethyl 1-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[5-[[[6-(4-phenylphenyl)-3-pyridazinyl]thio]methyl]-2-furanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[[6-(4-phenylphenyl)pyridazin-3-yl]thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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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)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S/c1-2-36-30(35)24-16-18-33(19-17-24)29(34)27-14-12-25(37-27)20-38-28-15-13-26(31-32-28)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-15,24H,2,16-20H2,1H3