methyl 4-(3-bromanyl-5-oxidanyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-5-oxidanyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(3-bromo-5-hydroxy-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(3-bromo-5-hydroxy-phenyl)sulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H11BrO5S3 MolecularWeight: 423.32244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=CC(=C2)O)Br

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)S(=O)(=O)C2=CC(=CC(=C2)O)Br

InChI

InChI=1S/C13H11BrO5S3/c1-19-12(16)10-6-11(13(20-2)21-10)22(17,18)9-4-7(14)3-8(15)5-9/h3-6,15H,1-2H3