2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-(1H-indol-3-yl)acetic acid Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=CC=CC=C32)C(=O)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O2S/c26-22(27)20(16-12-23-17-8-2-1-7-15(16)17)25-11-5-6-14(13-25)21-24-18-9-3-4-10-19(18)28-21/h1-4,7-10,12,14,20,23H,5-6,11,13H2,(H,26,27)