1-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methyl-cyclohexanecarboxylic acid Formula: C13H15Br2NO3S MolecularWeight: 425.1361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C13H15Br2NO3S/c1-7-2-4-13(5-3-7,12(18)19)16-11(17)9-6-8(14)10(15)20-9/h6-7H,2-5H2,1H3,(H,16,17)(H,18,19)