[4-bromanyl-2-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] methanesulfonate

Systemtic Name: [4-bromanyl-2-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] methanesulfonate Openeye Name: [4-bromo-2-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-bromo-2-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-bromo-2-[[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Br)OS(=O)(=O)C)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Br)OS(=O)(=O)C)C(=O)O2

InChI

InChI=1S/C21H20BrNO5S/c1-21(2,3)15-7-5-13(6-8-15)19-23-17(20(24)27-19)12-14-11-16(22)9-10-18(14)28-29(4,25)26/h5-12H,1-4H3