(2-chloranylquinolin-3-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19ClN2O3S/c22-19-16(12-15-4-1-2-5-17(15)23-19)13-27-21(26)14-7-9-24(10-8-14)20(25)18-6-3-11-28-18/h1-6,11-12,14H,7-10,13H2