3-(1-ethyl-5-thiophen-2-yl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1-ethyl-5-thiophen-2-yl-pyrrol-2-yl)propanoic acid Openeye Name: 3-[1-ethyl-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-(1-ethyl-5-thiophen-2-yl-2-pyrrolyl)propanoic acid IUPAC Name: 3-(1-ethyl-5-thiophen-2-ylpyrrol-2-yl)propanoic acid Traditional Name: 3-[1-ethyl-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C2=CC=CS2)CCC(=O)O

Isomeric SMILES

CCN1C(=CC=C1C2=CC=CS2)CCC(=O)O

InChI

InChI=1S/C13H15NO2S/c1-2-14-10(6-8-13(15)16)5-7-11(14)12-4-3-9-17-12/h3-5,7,9H,2,6,8H2,1H3,(H,15,16)