3-oxidanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]amino]butyric acid Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2)O

InChI

InChI=1S/C19H17NO7S/c1-10(21)17(19(24)25)20-16(22)9-26-11-4-5-13-14(7-11)27-15(18(13)23)8-12-3-2-6-28-12/h2-8,10,17,21H,9H2,1H3,(H,20,22)(H,24,25)