2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CO3)O2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CO3)O2

InChI

InChI=1S/C20H19NO7S/c1-29-8-6-15(20(24)25)21-18(22)11-27-13-4-5-14-16(9-13)28-17(19(14)23)10-12-3-2-7-26-12/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,21,22)(H,24,25)