6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-[(3R)-3-(1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-[(3R)-3-piperidinopyrrolidino]-1,3-benzothiazol-6-yl]picolinic acid Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=NC(=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(CC1)[C@@H]2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=NC(=CC=C5)C(=O)O

InChI

InChI=1S/C22H24N4O2S/c27-21(28)19-6-4-5-17(23-19)15-7-8-18-20(13-15)29-22(24-18)26-12-9-16(14-26)25-10-2-1-3-11-25/h4-8,13,16H,1-3,9-12,14H2,(H,27,28)/t16-/m1/s1