[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H20BrNO4S MolecularWeight: 462.3568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Br)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4S/c22-19-8-7-18(28-19)17(24)14-27-21(26)16-10-12-23(13-11-16)20(25)9-6-15-4-2-1-3-5-15/h1-9,16H,10-14H2/b9-6+