4-[2-(2-carboxyethyl)-5-thiophen-2-yl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-(2-carboxyethyl)-5-thiophen-2-yl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-(2-carboxyethyl)-5-(2-thienyl)pyrrol-1-yl]benzoic acid CAS Name: 4-[2-(2-carboxyethyl)-5-thiophen-2-yl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-5-thiophen-2-ylpyrrol-1-yl]benzoic acid Traditional Name: 4-[2-(2-carboxyethyl)-5-(2-thienyl)pyrrol-1-yl]benzoic acid Formula: C18H15NO4S MolecularWeight: 341.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C18H15NO4S/c20-17(21)10-8-14-7-9-15(16-2-1-11-24-16)19(14)13-5-3-12(4-6-13)18(22)23/h1-7,9,11H,8,10H2,(H,20,21)(H,22,23)