ethyl 3-[(2-methylphenyl)methyl]-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(4-methylthiadiazole-5-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[(4-methyl-5-thiadiazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(4-methylthiadiazole-5-carbonyl)nipecotic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=NS2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=NS2)C)CC3=CC=CC=C3C

InChI

InChI=1S/C20H25N3O3S/c1-4-26-19(25)20(12-16-9-6-5-8-14(16)2)10-7-11-23(13-20)18(24)17-15(3)21-22-27-17/h5-6,8-9H,4,7,10-13H2,1-3H3