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

Systemtic Name: ethyl 1-[(5Z)-4-oxidanylidene-5-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methylidene]-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5Z)-4-oxo-5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5Z)-4-keto-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O3S/c1-2-34-25(33)19-10-14-30(15-11-19)26-28-24(32)22(35-26)16-20-17-31(21-6-4-3-5-7-21)29-23(20)18-8-12-27-13-9-18/h3-9,12-13,16-17,19H,2,10-11,14-15H2,1H3/b22-16-