ethyl (3R)-1-(2-propylsulfanylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(2-propylsulfanylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2-propylsulfanylbenzoyl)piperidine-3-carboxylate CAS Name: (3R)-1-[oxo-[2-(propylthio)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2-propylsulfanylbenzoyl)piperidine-3-carboxylate Traditional Name: (3R)-1-[2-(propylthio)benzoyl]nipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)N2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C18H25NO3S/c1-3-12-23-16-10-6-5-9-15(16)17(20)19-11-7-8-14(13-19)18(21)22-4-2/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1