[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19NO6S/c22-15(14-3-4-16-17(10-14)27-12-26-16)11-25-20(24)13-5-7-21(8-6-13)19(23)18-2-1-9-28-18/h1-4,9-10,13H,5-8,11-12H2