[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O4S/c20-17-7-6-16(27-17)15(23)12-26-18(24)13-8-10-22(11-9-13)19(25)21-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,21,25)