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

Systemtic Name: ethyl 1-[5-[(3-bromophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[(3-bromophenyl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-[(3-bromophenyl)methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-bromobenzylidene)-4-keto-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S/c1-2-24-17(23)13-6-8-21(9-7-13)18-20-16(22)15(25-18)11-12-4-3-5-14(19)10-12/h3-5,10-11,13H,2,6-9H2,1H3