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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(4-quinolyl)methyl]proline Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C22H19N3O2S/c26-22(27)18-9-5-13-25(18)20(21-24-17-8-3-4-10-19(17)28-21)15-11-12-23-16-7-2-1-6-14(15)16/h1-4,6-8,10-12,18,20H,5,9,13H2,(H,26,27)