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

Systemtic Name: 2-[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[2-[(2-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3-keto-2-o-anisylidene-coumaran-6-yl)oxyacetyl]amino]-4-(methylthio)butyric acid Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C23H23NO7S/c1-29-18-6-4-3-5-14(18)11-20-22(26)16-8-7-15(12-19(16)31-20)30-13-21(25)24-17(23(27)28)9-10-32-2/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,25)(H,27,28)