[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N2CCCC(C2)C(=O)N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H20N2O4S/c1-23-13-7-3-2-6-12(13)16(21)22-10-14(19)18-8-4-5-11(9-18)15(17)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,17,20)/t11-/m1/s1