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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 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 [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 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 (2-keto-2-pyrrolidino-ethyl) ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H23N3O5S/c23-17(21-9-3-4-10-21)13-27-19(24)14-7-11-22(12-8-14)18-15-5-1-2-6-16(15)28(25,26)20-18/h1-2,5-6,14H,3-4,7-13H2