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

Systemtic Name: ethyl 1-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C15H22N4O3S/c1-2-22-14(21)11-5-7-19(8-6-11)12(20)9-23-15-16-13(17-18-15)10-3-4-10/h10-11H,2-9H2,1H3,(H,16,17,18)