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

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: [2-(2-naphthyl)-2-oxo-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-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 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-(2-naphthyl)ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H22N2O5S/c28-22(20-10-9-17-5-1-2-6-19(17)15-20)16-32-25(29)18-11-13-27(14-12-18)24-21-7-3-4-8-23(21)33(30,31)26-24/h1-10,15,18H,11-14,16H2