2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C16H20N2O2S/c1-11-7-12(2)9-18(8-11)15(19)10-21-16-17-13-5-3-4-6-14(13)20-16/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1