ethyl 1-[2-[(2-bromophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-bromophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2-bromophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-bromophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-bromophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-bromobenzyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=CC=C2Br

InChI

InChI=1S/C17H22BrNO3S/c1-2-22-17(21)13-7-9-19(10-8-13)16(20)12-23-11-14-5-3-4-6-15(14)18/h3-6,13H,2,7-12H2,1H3