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

Systemtic Name: ethyl 1-[(5Z)-4-oxidanylidene-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5Z)-5-[(3-benzyloxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5Z)-5-(3-benzoxybenzylidene)-4-keto-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CC(=CC=C3)OCC4=CC=CC=C4)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4)/S2

InChI

InChI=1S/C25H26N2O4S/c1-2-30-24(29)20-11-13-27(14-12-20)25-26-23(28)22(32-25)16-19-9-6-10-21(15-19)31-17-18-7-4-3-5-8-18/h3-10,15-16,20H,2,11-14,17H2,1H3/b22-16-