[(2R)-3-oxidanylidenebutan-2-yl] 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: [(2R)-3-oxidanylidenebutan-2-yl] 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-propyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid [(2R)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-3-oxobutan-2-yl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid [(1R)-2-keto-1-methyl-propyl] ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)C)OC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H20N2O5S/c1-11(20)12(2)24-17(21)13-7-9-19(10-8-13)16-14-5-3-4-6-15(14)25(22,23)18-16/h3-6,12-13H,7-10H2,1-2H3/t12-/m1/s1