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

Systemtic Name: pyridin-3-ylmethyl (3R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 3-pyridylmethyl (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 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl (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 3-pyridylmethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1C[C@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C19H19N3O4S/c23-19(26-13-14-5-3-9-20-11-14)15-6-4-10-22(12-15)18-16-7-1-2-8-17(16)27(24,25)21-18/h1-3,5,7-9,11,15H,4,6,10,12-13H2/t15-/m1/s1