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

Systemtic Name: 3-oxidanyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]propanoic acid Openeye Name: 3-hydroxy-2-[[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]amino]propionic acid Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7S/c20-8-13(18(23)24)19-16(21)9-25-10-3-4-12-14(6-10)26-15(17(12)22)7-11-2-1-5-27-11/h1-7,13,20H,8-9H2,(H,19,21)(H,23,24)