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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(3-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=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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