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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3

InChI

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