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

Systemtic Name: ethyl 1-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[5-[[(6-phenyl-3-pyridazinyl)thio]methyl]-2-furanyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[(6-phenylpyridazin-3-yl)thio]methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-2-30-24(29)18-9-6-14-27(15-18)23(28)21-12-10-19(31-21)16-32-22-13-11-20(25-26-22)17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3