1-[2-[[(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[(2Z)-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2Z)-3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2Z)-3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]isonipecotic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3

InChI

InChI=1S/C21H19NO6S/c23-19(22-7-5-13(6-8-22)21(25)26)12-27-14-3-4-16-17(10-14)28-18(20(16)24)11-15-2-1-9-29-15/h1-4,9-11,13H,5-8,12H2,(H,25,26)/b18-11-