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

Systemtic Name: [(1R)-1-cyanoethyl] 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 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)-1-cyanoethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-11(10-17)23-16(20)12-6-8-19(9-7-12)15-13-4-2-3-5-14(13)24(21,22)18-15/h2-5,11-12H,6-9H2,1H3/t11-/m1/s1