[2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-[(E)-3-(benzofuran-2-yl)-3-oxo-prop-1-enyl]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-[(E)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-[(E)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]phenyl] ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=CC=C2C=CC(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=CC=C2/C=C/C(=O)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H23NO5S/c30-22(25-18-21-7-2-4-9-24(21)33-25)12-11-19-6-1-3-8-23(19)34-28(32)20-13-15-29(16-14-20)27(31)26-10-5-17-35-26/h1-12,17-18,20H,13-16H2/b12-11+