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

Systemtic Name: cyanomethyl (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate Openeye Name: cyanomethyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate CAS Name: (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate Traditional Name: (2R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pipecolinic acid cyanomethyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC#N)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC#N)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H15N3O4S/c16-8-10-22-15(19)12-6-3-4-9-18(12)14-11-5-1-2-7-13(11)23(20,21)17-14/h1-2,5,7,12H,3-4,6,9-10H2/t12-/m1/s1