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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC#N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC#N

InChI

InChI=1S/C15H15N3O4S/c16-7-9-22-15(19)11-4-3-8-18(10-11)14-12-5-1-2-6-13(12)23(20,21)17-14/h1-2,5-6,11H,3-4,8-10H2/t11-/m1/s1