ethyl 1-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5E)-5-[(1,3-diphenyl-4-pyrazolyl)methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-keto-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C\C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/S2

InChI

InChI=1S/C27H26N4O3S/c1-2-34-26(33)20-13-15-30(16-14-20)27-28-25(32)23(35-27)17-21-18-31(22-11-7-4-8-12-22)29-24(21)19-9-5-3-6-10-19/h3-12,17-18,20H,2,13-16H2,1H3/b23-17+