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

Systemtic Name: 1-[1,3-benzothiazol-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(3-thienyl)methyl]isonipecotic acid Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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