1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-2-pyridyl)methyl]proline Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

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