ethyl 2-(4-methylsulfanyl-2-propyl-1H-imidazol-5-yl)-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-(4-methylsulfanyl-2-propyl-1H-imidazol-5-yl)-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(4-methylsulfanyl-2-propyl-1H-imidazol-5-yl)-2-oxo-acetate CAS Name: 2-[4-(methylthio)-2-propyl-1H-imidazol-5-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanyl-2-propyl-1H-imidazol-5-yl)-2-oxoacetate Traditional Name: 2-keto-2-[4-(methylthio)-2-propyl-1H-imidazol-5-yl]acetic acid ethyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C(=O)C(=O)OCC)SC

Isomeric SMILES

CCCC1=NC(=C(N1)C(=O)C(=O)OCC)SC

InChI

InChI=1S/C11H16N2O3S/c1-4-6-7-12-8(10(13-7)17-3)9(14)11(15)16-5-2/h4-6H2,1-3H3,(H,12,13)