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

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H17BrFNO4S MolecularWeight: 478.331383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrFNO4S/c1-27-19-8-4-14(22)10-17(19)21-24-16(12-29-21)11-28-20(26)9-7-18(25)13-2-5-15(23)6-3-13/h2-6,8,10,12H,7,9,11H2,1H3