1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-ethyl-2-pyridyl)methyl]proline Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-2-14-9-10-17(22-12-14)20(23-11-5-7-18(23)21(24)25)16-13-26-19-8-4-3-6-15(16)19/h3-4,6,8-10,12-13,18,20H,2,5,7,11H2,1H3,(H,24,25)