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

Systemtic Name: ethyl (2R)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-2-25-17(24)14-10-6-7-11-22(14)15(23)12-26-18-19-16(20-21-18)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,20,21)/t14-/m1/s1