ethyl 2-[5-(4-bromophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[5-(4-bromophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[5-(4-bromobenzoyl)-2-phenyl-thiazol-4-yl]-2-cyano-acetate CAS Name: 2-[5-[(4-bromophenyl)-oxomethyl]-2-phenyl-4-thiazolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-bromobenzoyl)-2-phenyl-1,3-thiazol-4-yl]-2-cyanoacetate Traditional Name: 2-[5-(4-bromobenzoyl)-2-phenyl-thiazol-4-yl]-2-cyano-acetic acid ethyl ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C(C#N)C1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-2-27-21(26)16(12-23)17-19(18(25)13-8-10-15(22)11-9-13)28-20(24-17)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3