[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CS2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC2=CC=CS2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O4S/c22-17-5-3-15(4-6-17)20(26)24-11-8-16(9-12-24)21(27)28-14-19(25)23-10-7-18-2-1-13-29-18/h1-6,13,16H,7-12,14H2,(H,23,25)