1-[1,3-benzothiazol-2-yl(furan-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(2-furyl)methyl]isonipecotic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=CO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N2O3S/c21-18(22)12-7-9-20(10-8-12)16(14-5-3-11-23-14)17-19-13-4-1-2-6-15(13)24-17/h1-6,11-12,16H,7-10H2,(H,21,22)