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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(pyridin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(2-pyridyl)methyl]proline Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC=N2)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C18H17N3O2S/c22-18(23)14-8-5-11-21(14)16(13-7-3-4-10-19-13)17-20-12-6-1-2-9-15(12)24-17/h1-4,6-7,9-10,14,16H,5,8,11H2,(H,22,23)