1-(2-bromanyl-5-methoxycarbonyl-thiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-bromanyl-5-methoxycarbonyl-thiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-5-methoxycarbonyl-3-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-5-methoxycarbonyl-3-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-5-carbomethoxy-3-thienyl)sulfonyl]proline Formula: C11H12BrNO6S2 MolecularWeight: 398.25008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCC2C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCC2C(=O)O

InChI

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