5-bromanyl-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(2-methoxycarbonyl-1-pyrrolidinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(2-carbomethoxypyrrolidino)sulfonyl-2-thenoic acid Formula: C11H12BrNO6S2 MolecularWeight: 398.25008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H12BrNO6S2/c1-19-11(16)6-3-2-4-13(6)21(17,18)8-5-7(10(14)15)20-9(8)12/h5-6H,2-4H2,1H3,(H,14,15)