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

Systemtic Name: 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]propanoic acid Openeye Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]propanoic acid CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]propanoic acid Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]propionic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-3-10-14(15(21)16(18)22)13-9(5-4-6-11(13)26-10)25-7-12(20)19-8(2)17(23)24/h4-6,8H,3,7H2,1-2H3,(H2,18,22)(H,19,20)(H,23,24)