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

Systemtic Name: ethyl 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]isonipecotic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C18H23N3O2S/c1-3-23-17(22)15-8-10-21(11-9-15)18-19-16(20-24-18)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3