1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]proline Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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