2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CS5)O4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CS5)O4)C(=O)O

InChI

InChI=1S/C25H19NO6S/c27-23(26-13-16-5-2-1-4-15(16)10-20(26)25(29)30)14-31-17-7-8-19-21(11-17)32-22(24(19)28)12-18-6-3-9-33-18/h1-9,11-12,20H,10,13-14H2,(H,29,30)