methyl 4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-(3-bromophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(3-bromophenyl)sulfonyl-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C13H11BrO4S3 MolecularWeight: 407.32304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrO4S3/c1-18-12(15)10-7-11(13(19-2)20-10)21(16,17)9-5-3-4-8(14)6-9/h3-7H,1-2H3