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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(6-isoquinolyl)methyl]pipecolinic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O2S/c27-23(28)19-6-3-4-12-26(19)21(22-25-18-5-1-2-7-20(18)29-22)16-8-9-17-14-24-11-10-15(17)13-16/h1-2,5,7-11,13-14,19,21H,3-4,6,12H2,(H,27,28)