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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

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