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

Systemtic Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]isonipecotic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H19N3O2S/c1-11-2-4-12(5-3-11)10-14-17-16(22-18-14)19-8-6-13(7-9-19)15(20)21/h2-5,13H,6-10H2,1H3,(H,20,21)