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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC(C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC[C@H](C2)C(=O)OCC)C3=CC=CC=C3

InChI

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