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

Systemtic Name: ethyl 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-[[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-5-[(3-m-phenetyl-1-phenyl-pyrazol-4-yl)methylene]-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCC(CC4)C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4S/c1-3-36-24-12-8-9-21(17-24)26-22(19-33(31-26)23-10-6-5-7-11-23)18-25-27(34)30-29(38-25)32-15-13-20(14-16-32)28(35)37-4-2/h5-12,17-20H,3-4,13-16H2,1-2H3