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

Systemtic Name: ethyl 1-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C16H26N4O4S/c1-4-8-20-15(23)17-18-16(20)25-11(3)13(21)19-9-6-12(7-10-19)14(22)24-5-2/h11-12H,4-10H2,1-3H3,(H,17,23)