7-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]heptanoic acid Openeye Name: 7-[(4,5-dibromothiophene-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(4,5-dibromothiophene-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(4,5-dibromothiophene-2-carbonyl)amino]enanthic acid Formula: C12H15Br2NO3S MolecularWeight: 413.1254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1Br)Br)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1Br)Br)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C12H15Br2NO3S/c13-8-7-9(19-11(8)14)12(18)15-6-4-2-1-3-5-10(16)17/h7H,1-6H2,(H,15,18)(H,16,17)