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

Systemtic Name: ethyl 1-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5E)-4-oxo-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5E)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C\C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)/S2

InChI

InChI=1S/C25H24N4O3S2/c1-2-32-24(31)17-10-12-28(13-11-17)25-26-23(30)21(34-25)15-18-16-29(19-7-4-3-5-8-19)27-22(18)20-9-6-14-33-20/h3-9,14-17H,2,10-13H2,1H3/b21-15+