2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-4-methyl-valeric acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(CC(C)C)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(CC(C)C)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C20H24N2O6S/c1-4-13-17(18(24)19(21)25)16-12(6-5-7-14(16)29-13)28-9-15(23)22-11(20(26)27)8-10(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H2,21,25)(H,22,23)(H,26,27)