2-[[4-[(5-bromanylfuran-2-yl)-methoxy-methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(5-bromanylfuran-2-yl)-methoxy-methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(5-bromo-2-furyl)-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(5-bromo-2-furanyl)-methoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(5-bromofuran-2-yl)-methoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(5-bromo-2-furyl)-methoxy-methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H26BrNO5S MolecularWeight: 532.44664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CC=C(O3)Br)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CC=C(O3)Br)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H26BrNO5S/c1-15-6-4-5-7-17(15)19-14-16(23(31-2)21-10-11-22(26)32-21)8-9-18(19)24(28)27-20(25(29)30)12-13-33-3/h4-11,14,20,23H,12-13H2,1-3H3,(H,27,28)(H,29,30)