1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(pyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(4-pyridyl)methyl]proline Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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