4-bromanyl-5-methyl-3-sulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-methyl-3-sulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-bromo-5-methyl-3-sulfanyl-thiophene-2-carboxylic acid CAS Name: 4-bromo-3-mercapto-5-methyl-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-5-methyl-3-sulfanylthiophene-2-carboxylic acid Traditional Name: 4-bromo-3-mercapto-5-methyl-2-thenoic acid Formula: C6H5BrO2S2 MolecularWeight: 253.1367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C(=O)O)S)Br

Isomeric SMILES

CC1=C(C(=C(S1)C(=O)O)S)Br

InChI

InChI=1S/C6H5BrO2S2/c1-2-3(7)4(10)5(11-2)6(8)9/h10H,1H3,(H,8,9)