4-[[(5-bromanylthiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanylthiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(5-bromothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(5-bromo-2-thiophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-bromothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-bromothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C13H10BrNO3S MolecularWeight: 340.1924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H10BrNO3S/c14-11-6-5-10(19-11)12(16)15-7-8-1-3-9(4-2-8)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18)