2-[[2-(2-methylphenyl)-4-naphthalen-2-ylsulfanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-naphthalen-2-ylsulfanyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(2-naphthylsulfanyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(2-naphthalenylthio)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-naphthalen-2-ylsulfanylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(2-naphthylthio)-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C29H27NO3S2 MolecularWeight: 501.65958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)SC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)SC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H27NO3S2/c1-19-7-3-6-10-24(19)26-18-23(35-22-12-11-20-8-4-5-9-21(20)17-22)13-14-25(26)28(31)30-27(29(32)33)15-16-34-2/h3-14,17-18,27H,15-16H2,1-2H3,(H,30,31)(H,32,33)