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

Systemtic Name: 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]butanedioic acid CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]succinic acid Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8S/c1-2-10-15(16(24)17(19)25)14-9(4-3-5-11(14)29-10)28-7-12(21)20-8(18(26)27)6-13(22)23/h3-5,8H,2,6-7H2,1H3,(H2,19,25)(H,20,21)(H,22,23)(H,26,27)