methyl 4-(2-bromanyl-4-methylsulfanyl-phenyl)-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(2-bromanyl-4-methylsulfanyl-phenyl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-bromo-4-methylsulfanyl-phenyl)-3-methyl-4-oxo-butanoate CAS Name: 4-[2-bromo-4-(methylthio)phenyl]-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-bromo-4-methylsulfanylphenyl)-3-methyl-4-oxobutanoate Traditional Name: 4-[2-bromo-4-(methylthio)phenyl]-4-keto-3-methyl-butyric acid methyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3S/c1-8(6-12(15)17-2)13(16)10-5-4-9(18-3)7-11(10)14/h4-5,7-8H,6H2,1-3H3