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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-methyl-4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methyl-4-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

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

InChI

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