(2S)-2-[2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: (2S)-3-hydroxy-2-[[2-[(2Z)-2-[(4-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-[[2-[[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[2-[(2Z)-3-keto-2-p-anisylidene-coumaran-6-yl]oxyacetyl]amino]propionate Formula: C21H18NO8- MolecularWeight: 412.36952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C21H19NO8/c1-28-13-4-2-12(3-5-13)8-18-20(25)15-7-6-14(9-17(15)30-18)29-11-19(24)22-16(10-23)21(26)27/h2-9,16,23H,10-11H2,1H3,(H,22,24)(H,26,27)/p-1/b18-8-/t16-/m0/s1