[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H18BrNO4S MolecularWeight: 460.34092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO4S/c1-26-19-9-7-15(22)11-17(19)21-23-16(13-28-21)12-27-20(25)10-8-18(24)14-5-3-2-4-6-14/h2-7,9,11,13H,8,10,12H2,1H3