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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]proline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C20H21N3O2S/c1-2-13-9-10-15(21-12-13)18(23-11-5-7-16(23)20(24)25)19-22-14-6-3-4-8-17(14)26-19/h3-4,6,8-10,12,16,18H,2,5,7,11H2,1H3,(H,24,25)