tert-butyl 3-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-(5-bromanyl-3-methyl-2-methylsulfanyl-imidazol-4-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-(5-bromo-3-methyl-2-methylsulfanyl-imidazol-4-yl)-3-oxo-propanoate CAS Name: 3-[5-bromo-3-methyl-2-(methylthio)-4-imidazolyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)-3-oxopropanoate Traditional Name: 3-[5-bromo-3-methyl-2-(methylthio)imidazol-4-yl]-3-keto-propionic acid tert-butyl ester Formula: C12H17BrN2O3S MolecularWeight: 349.24398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)C1=C(N=C(N1C)SC)Br

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)C1=C(N=C(N1C)SC)Br

InChI

InChI=1S/C12H17BrN2O3S/c1-12(2,3)18-8(17)6-7(16)9-10(13)14-11(19-5)15(9)4/h6H2,1-5H3