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

Systemtic Name: ethyl 1-[5-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[[6-(4-chlorophenyl)-3-pyridazinyl]thio]methyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[[6-(4-chlorophenyl)pyridazin-3-yl]thio]methyl]-2-furoyl]nipecotic acid ethyl ester Formula: C24H24ClN3O4S MolecularWeight: 485.98306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O4S/c1-2-31-24(30)17-4-3-13-28(14-17)23(29)21-11-9-19(32-21)15-33-22-12-10-20(26-27-22)16-5-7-18(25)8-6-16/h5-12,17H,2-4,13-15H2,1H3