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

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [5-methyl-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 (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-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 [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CCC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H18BrNO5S/c1-12-15(22-20(27-12)18-4-3-9-28-18)11-26-19(24)8-6-16(23)14-10-13(21)5-7-17(14)25-2/h3-5,7,9-10H,6,8,11H2,1-2H3