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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H20BrNO5S MolecularWeight: 490.3669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H20BrNO5S/c1-27-19-6-4-3-5-16(19)22-24-15(13-30-22)12-29-21(26)10-8-18(25)17-11-14(23)7-9-20(17)28-2/h3-7,9,11,13H,8,10,12H2,1-2H3