ethyl (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC[C@@H]2C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-3-23-18(15-10-6-5-7-11-15)21-22-20(23)28-14-17(25)24-13-9-8-12-16(24)19(26)27-4-2/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3/t16-/m1/s1