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

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H22N2O6S/c1-12(2)26-16(21)11-25-18(22)13-6-5-9-20(10-13)17-14-7-3-4-8-15(14)27(23,24)19-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3