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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(2-thienyl)methyl]nipecotic acid Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C18H18N2O2S2/c21-18(22)12-5-3-9-20(11-12)16(15-8-4-10-23-15)17-19-13-6-1-2-7-14(13)24-17/h1-2,4,6-8,10,12,16H,3,5,9,11H2,(H,21,22)