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

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (1-methyl-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 [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 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-1-methyl-2-pyrrolidino-ethyl) ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H25N3O5S/c1-14(19(24)23-10-4-5-11-23)28-20(25)15-8-12-22(13-9-15)18-16-6-2-3-7-17(16)29(26,27)21-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3