1-[1,3-benzothiazol-2-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolyl)methyl]proline Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4)C(=O)O

InChI

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