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

Systemtic Name: dimethyl (2R)-2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]butanedioate Openeye Name: dimethyl (2R)-2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]butanedioate CAS Name: (2R)-2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]butanedioate Traditional Name: (2R)-2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]succinic acid dimethyl ester Formula: C20H22N2O8S MolecularWeight: 450.46228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)N[C@H](CC(=O)OC)C(=O)OC)C(=O)C(=O)N

InChI

InChI=1S/C20H22N2O8S/c1-4-12-17(18(25)19(21)26)16-11(6-5-7-13(16)31-12)30-9-14(23)22-10(20(27)29-3)8-15(24)28-2/h5-7,10H,4,8-9H2,1-3H3,(H2,21,26)(H,22,23)/t10-/m1/s1