[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCC2C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC[C@@H]2C(=O)N

InChI

InChI=1S/C16H20N2O4S/c1-23-12-7-5-11(6-8-12)16(21)22-10-14(19)18-9-3-2-4-13(18)15(17)20/h5-8,13H,2-4,9-10H2,1H3,(H2,17,20)/t13-/m1/s1