1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(6-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]proline Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C20H20N2O2S/c1-13-6-4-8-15(21-13)19(22-11-5-9-16(22)20(23)24)18-12-14-7-2-3-10-17(14)25-18/h2-4,6-8,10,12,16,19H,5,9,11H2,1H3,(H,23,24)