ethyl 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3,4-dichlorophenyl)methylthio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3,4-dichlorobenzyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H23Cl2NO3S MolecularWeight: 404.35112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H23Cl2NO3S/c1-2-24-18(23)14-5-8-21(9-6-14)17(22)7-10-25-12-13-3-4-15(19)16(20)11-13/h3-4,11,14H,2,5-10,12H2,1H3