2-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 2-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-methyl-benzoic acid Formula: C13H9Br2NO3S MolecularWeight: 419.08846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C2=CC(=C(S2)Br)Br)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C2=CC(=C(S2)Br)Br)C(=O)O

InChI

InChI=1S/C13H9Br2NO3S/c1-6-3-2-4-7(13(18)19)10(6)16-12(17)9-5-8(14)11(15)20-9/h2-5H,1H3,(H,16,17)(H,18,19)