dimethyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]propanedioate

Systemtic Name: dimethyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]propanedioate Openeye Name: dimethyl 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]propanedioate CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]propanedioate Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]malonic acid dimethyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S/c1-4-10-14(16(23)17(20)24)13-9(6-5-7-11(13)30-10)29-8-12(22)21-15(18(25)27-2)19(26)28-3/h5-7,15H,4,8H2,1-3H3,(H2,20,24)(H,21,22)