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

Systemtic Name: ethyl (2R)-1-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C15H24N4O4S MolecularWeight: 356.44046

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCCCC2C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCCC[C@@H]2C(=O)OCC

InChI

InChI=1S/C15H24N4O4S/c1-3-8-19-14(22)16-17-15(19)24-10-12(20)18-9-6-5-7-11(18)13(21)23-4-2/h11H,3-10H2,1-2H3,(H,16,22)/t11-/m1/s1