ethyl 3-bromanyl-4-(3-methylsulfonylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: ethyl 3-bromanyl-4-(3-methylsulfonylphenyl)-2-oxidanylidene-butanoate Openeye Name: ethyl 3-bromo-4-(3-methylsulfonylphenyl)-2-oxo-butanoate CAS Name: 3-bromo-4-(3-methylsulfonylphenyl)-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3-methylsulfonylphenyl)-2-oxobutanoate Traditional Name: 3-bromo-2-keto-4-(3-mesylphenyl)butyric acid ethyl ester Formula: C13H15BrO5S MolecularWeight: 363.2242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CC1=CC(=CC=C1)S(=O)(=O)C)Br

Isomeric SMILES

CCOC(=O)C(=O)C(CC1=CC(=CC=C1)S(=O)(=O)C)Br

InChI

InChI=1S/C13H15BrO5S/c1-3-19-13(16)12(15)11(14)8-9-5-4-6-10(7-9)20(2,17)18/h4-7,11H,3,8H2,1-2H3