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

Systemtic Name: 3-methyl-2-[2-[[3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-[3-oxo-2-(2-thienylmethylene)benzofuran-6-yl]oxyacetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[[3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranyl]oxy]ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[[3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]pentanoic acid Traditional Name: 2-[[2-[3-keto-2-(2-thenylidene)coumaran-6-yl]oxyacetyl]amino]-3-methyl-valeric acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CS3)O2

InChI

InChI=1S/C21H21NO6S/c1-3-12(2)19(21(25)26)22-18(23)11-27-13-6-7-15-16(9-13)28-17(20(15)24)10-14-5-4-8-29-14/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)(H,25,26)