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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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