O1-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] O2-ethylsulfanyl ethanedioate

Systemtic Name: O1-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] O2-ethylsulfanyl ethanedioate Openeye Name: O1-[2-(4-chlorophenyl)-2-(2-pyridylmethoxy)-1-piperidyl] O2-ethylsulfanyl oxalate CAS Name: oxalic acid O1-[2-(4-chlorophenyl)-2-(2-pyridinylmethoxy)-1-piperidinyl] ester O2-(ethylthio) ester IUPAC Name: 1-O-[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] 2-O-ethylsulfanyl oxalate Traditional Name: oxalic acid O1-[2-(4-chlorophenyl)-2-(2-pyridylmethoxy)piperidino] ester O2-(ethylthio) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCSOC(=O)C(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3

Isomeric SMILES

CCSOC(=O)C(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3

InChI

InChI=1S/C21H23ClN2O5S/c1-2-30-29-20(26)19(25)28-24-14-6-4-12-21(24,16-8-10-17(22)11-9-16)27-15-18-7-3-5-13-23-18/h3,5,7-11,13H,2,4,6,12,14-15H2,1H3