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

Systemtic Name: ethyl 4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCN(CC2)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCN(CC2)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C18H25N5O3S2/c1-3-23-16(14-6-5-11-27-14)20-21-17(23)28-12-15(24)19-13-7-9-22(10-8-13)18(25)26-4-2/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,24)