ethyl 1-(2-ethyl-5-thiophen-3-yl-pyrazol-3-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-ethyl-5-thiophen-3-yl-pyrazol-3-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-ethyl-5-(3-thienyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-ethyl-5-(3-thiophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethyl-5-thiophen-3-ylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-[2-ethyl-5-(3-thienyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CSC=C2)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=CC(=N1)C2=CSC=C2)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C18H23N3O3S/c1-3-21-16(10-15(19-21)14-7-9-25-12-14)17(22)20-8-5-6-13(11-20)18(23)24-4-2/h7,9-10,12-13H,3-6,8,11H2,1-2H3