3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(3,5-dimethylphenyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(3,5-dimethylphenyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O)C

InChI

InChI=1S/C19H19NO2S/c1-13-10-14(2)12-16(11-13)20-15(6-8-19(21)22)5-7-17(20)18-4-3-9-23-18/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,22)