2-[5-ethyl-4-oxamoyl-6-(phenylmethyl)thieno[2,3-b]pyrrol-3-yl]oxyethanoic acid

Systemtic Name: 2-[5-ethyl-4-oxamoyl-6-(phenylmethyl)thieno[2,3-b]pyrrol-3-yl]oxyethanoic acid Openeye Name: 2-(6-benzyl-5-ethyl-4-oxamoyl-thieno[2,3-b]pyrrol-3-yl)oxyacetic acid CAS Name: 2-[[5-ethyl-4-oxamoyl-6-(phenylmethyl)-3-thieno[2,3-b]pyrrolyl]oxy]acetic acid IUPAC Name: 2-(6-benzyl-5-ethyl-4-oxamoylthieno[2,3-b]pyrrol-3-yl)oxyacetic acid Traditional Name: 2-(6-benzyl-5-ethyl-4-oxamoyl-thieno[2,3-b]pyrrol-3-yl)oxyacetic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)SC=C2OCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)SC=C2OCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C19H18N2O5S/c1-2-12-15(17(24)18(20)25)16-13(26-9-14(22)23)10-27-19(16)21(12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,20,25)(H,22,23)