ethyl (3S)-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(2,4-dichlorophenyl)methylthio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(2,4-dichlorobenzyl)thio]acetyl]nipecotic acid ethyl ester Formula: C17H21Cl2NO3S MolecularWeight: 390.32454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H21Cl2NO3S/c1-2-23-17(22)12-4-3-7-20(9-12)16(21)11-24-10-13-5-6-14(18)8-15(13)19/h5-6,8,12H,2-4,7,9-11H2,1H3/t12-/m0/s1