[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2SCC3=NOC(=C3)C

InChI

InChI=1S/C20H24N2O4S/c1-14-6-5-9-22(11-14)19(23)12-25-20(24)17-7-3-4-8-18(17)27-13-16-10-15(2)26-21-16/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3/t14-/m1/s1