(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C19H16BrNO5S MolecularWeight: 450.30304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C19H16BrNO5S/c1-24-16-6-4-12(20)9-14(16)15(22)5-7-18(23)25-10-13-11-26-19(21-13)17-3-2-8-27-17/h2-4,6,8-9,11H,5,7,10H2,1H3