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

Systemtic Name: ethyl 1-[(5Z)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5Z)-5-[(5-bromo-2-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5Z)-5-(5-bromo-2-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=C(C=CC(=C3)Br)OC)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/S2

InChI

InChI=1S/C19H21BrN2O4S/c1-3-26-18(24)12-6-8-22(9-7-12)19-21-17(23)16(27-19)11-13-10-14(20)4-5-15(13)25-2/h4-5,10-12H,3,6-9H2,1-2H3/b16-11-