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

Systemtic Name: 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-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(C(C)CC)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S/c1-4-10(3)17(20(26)27)22-14(23)9-28-11-7-6-8-13-15(11)16(12(5-2)29-13)18(24)19(21)25/h6-8,10,17H,4-5,9H2,1-3H3,(H2,21,25)(H,22,23)(H,26,27)