5-bromanyl-4-(5-ethyl-2-methyl-morpholin-4-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(5-ethyl-2-methyl-morpholin-4-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(5-ethyl-2-methyl-morpholin-4-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(5-ethyl-2-methyl-4-morpholinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(5-ethyl-2-methyl-morpholino)sulfonyl-2-thenoic acid Formula: C12H16BrNO5S2 MolecularWeight: 398.29314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(CN1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

Isomeric SMILES

CCC1COC(CN1S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

InChI

InChI=1S/C12H16BrNO5S2/c1-3-8-6-19-7(2)5-14(8)21(17,18)10-4-9(12(15)16)20-11(10)13/h4,7-8H,3,5-6H2,1-2H3,(H,15,16)