1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid CAS Name: 1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)isonipecotic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N3O2S/c19-14(20)12-6-8-18(9-7-12)15-16-13(17-21-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,20)