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

Systemtic Name: 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-phenyl-propionic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(CC3=CC=CC=C3)C(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(CC3=CC=CC=C3)C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C23H22N2O6S/c1-2-16-20(21(27)22(24)28)19-15(9-6-10-17(19)32-16)31-12-18(26)25-14(23(29)30)11-13-7-4-3-5-8-13/h3-10,14H,2,11-12H2,1H3,(H2,24,28)(H,25,26)(H,29,30)