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

Systemtic Name: ethyl 1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H20N4O3S2/c1-2-23-15(22)11-5-7-20(8-6-11)13(21)10-25-16-17-14(18-19-16)12-4-3-9-24-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,18,19)