2-[[4-(2-bromanylethynyl)-2-(2-methylphenyl)phenyl]carbonylamino]-2-methyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(2-bromanylethynyl)-2-(2-methylphenyl)phenyl]carbonylamino]-2-methyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(2-bromoethynyl)-2-(o-tolyl)benzoyl]amino]-2-methyl-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(2-bromoethynyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-2-methyl-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(2-bromoethynyl)-2-(2-methylphenyl)benzoyl]amino]-2-methyl-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(2-bromoethynyl)-2-(o-tolyl)benzoyl]amino]-2-methyl-4-(methylthio)butyric acid Formula: C22H22BrNO3S MolecularWeight: 460.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C#CBr)C(=O)NC(C)(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C#CBr)C(=O)NC(C)(CCSC)C(=O)O

InChI

InChI=1S/C22H22BrNO3S/c1-15-6-4-5-7-17(15)19-14-16(10-12-23)8-9-18(19)20(25)24-22(2,21(26)27)11-13-28-3/h4-9,14H,11,13H2,1-3H3,(H,24,25)(H,26,27)