5-[(E)-N-[(5-bromanylfuran-2-yl)carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-N-[(5-bromanylfuran-2-yl)carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-N-[(5-bromofuran-2-carbonyl)amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1E)-1-[[(5-bromo-2-furanyl)-oxomethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-N-[(5-bromofuran-2-carbonyl)amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-N-[(5-bromo-2-furoyl)amino]-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C12H9BrN2O4S MolecularWeight: 357.17986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(O1)Br)C2=CC=C(S2)C(=O)O

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(O1)Br)/C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C12H9BrN2O4S/c1-6(8-3-4-9(20-8)12(17)18)14-15-11(16)7-2-5-10(13)19-7/h2-5H,1H3,(H,15,16)(H,17,18)/b14-6+