4-bromanyl-3-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: 4-bromanyl-3-methylsulfanyl-thiophene-2-carboxylate Openeye Name: 4-bromo-3-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-bromo-3-(methylthio)-2-thiophenecarboxylate IUPAC Name: 4-bromo-3-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-bromo-3-(methylthio)-2-thenoate Formula: C6H4BrO2S2- MolecularWeight: 252.12876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC=C1Br)C(=O)[O-]

Isomeric SMILES

CSC1=C(SC=C1Br)C(=O)[O-]

InChI

InChI=1S/C6H5BrO2S2/c1-10-4-3(7)2-11-5(4)6(8)9/h2H,1H3,(H,8,9)/p-1