2-[(5-bromanylthiophen-3-yl)carbonylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[(5-bromanylthiophen-3-yl)carbonylamino]-5-methyl-benzoic acid Openeye Name: 2-[(5-bromothiophene-3-carbonyl)amino]-5-methyl-benzoic acid CAS Name: 2-[[(5-bromo-3-thiophenyl)-oxomethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoic acid Traditional Name: 2-[(5-bromothiophene-3-carbonyl)amino]-5-methyl-benzoic acid Formula: C13H10BrNO3S MolecularWeight: 340.1924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=C2)Br)C(=O)O

InChI

InChI=1S/C13H10BrNO3S/c1-7-2-3-10(9(4-7)13(17)18)15-12(16)8-5-11(14)19-6-8/h2-6H,1H3,(H,15,16)(H,17,18)