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

Systemtic Name: ethyl (2R)-1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]pipecolinic acid ethyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC[C@@H]2C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C18H24N4O3S2/c1-3-21-16(14-9-7-11-26-14)19-20-18(21)27-12-15(23)22-10-6-5-8-13(22)17(24)25-4-2/h7,9,11,13H,3-6,8,10,12H2,1-2H3/t13-/m1/s1