ethyl 3-[(2-methylphenyl)methyl]-1-(1,2,5-thiadiazol-3-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-(1,2,5-thiadiazol-3-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl 3-(o-tolylmethyl)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[oxo(1,2,5-thiadiazol-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(1,2,5-thiadiazole-3-carbonyl)nipecotic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NSN=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NSN=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C19H23N3O3S/c1-3-25-18(24)19(11-15-8-5-4-7-14(15)2)9-6-10-22(13-19)17(23)16-12-20-26-21-16/h4-5,7-8,12H,3,6,9-11,13H2,1-2H3