1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]pipecolinic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N2O4S/c24-21(25)15-6-3-4-10-23(15)19(13-8-9-16-17(11-13)27-12-26-16)20-22-14-5-1-2-7-18(14)28-20/h1-2,5,7-9,11,15,19H,3-4,6,10,12H2,(H,24,25)