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

Systemtic Name: ethyl 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C19H28N4O3S/c1-3-26-18(25)14-8-10-22(11-9-14)17(24)12(2)27-19-21-20-16(13-4-5-13)23(19)15-6-7-15/h12-15H,3-11H2,1-2H3