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

Systemtic Name: methyl 4-(2-bromanyl-4-sulfanyl-phenyl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-bromo-4-sulfanyl-phenyl)-3-methyl-4-oxo-butanoate CAS Name: 4-(2-bromo-4-mercaptophenyl)-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-bromo-4-sulfanylphenyl)-3-methyl-4-oxobutanoate Traditional Name: 4-(2-bromo-4-mercapto-phenyl)-4-keto-3-methyl-butyric acid methyl ester Formula: C12H13BrO3S MolecularWeight: 317.19882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO3S/c1-7(5-11(14)16-2)12(15)9-4-3-8(17)6-10(9)13/h3-4,6-7,17H,5H2,1-2H3