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

Systemtic Name: ethyl 1-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C18H28N4O3S/c1-3-25-17(24)14-8-10-22(11-9-14)16(23)12(2)26-18-19-15(20-21-18)13-6-4-5-7-13/h12-14H,3-11H2,1-2H3,(H,19,20,21)