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

Systemtic Name: 2-[2-[[2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(3-keto-2-m-anisylidene-coumaran-6-yl)oxyacetyl]amino]-3-(methylthio)propionic acid Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C22H21NO7S/c1-28-14-5-3-4-13(8-14)9-19-21(25)16-7-6-15(10-18(16)30-19)29-11-20(24)23-17(12-31-2)22(26)27/h3-10,17H,11-12H2,1-2H3,(H,23,24)(H,26,27)