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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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-3,3-dimethyl-butyl) ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H24N2O5S/c1-19(2,3)16(22)12-26-18(23)13-8-10-21(11-9-13)17-14-6-4-5-7-15(14)27(24,25)20-17/h4-7,13H,8-12H2,1-3H3