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

Systemtic Name: ethyl 1-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(p-tolylmethylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[(4-methylphenyl)methylcarbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[5-[(4-methylbenzyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]nipecotic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N4O3S/c1-3-27-20(26)16-5-4-10-24(12-16)13-17-22-23-19(28-17)18(25)21-11-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,21,25)