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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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