3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-nitrophenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-nitrophenyl)carbonylamino]propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-nitrobenzoyl)amino]propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]-2-[(4-nitrobenzoyl)amino]propionic acid Formula: C35H26N2O6S MolecularWeight: 602.65574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C35H26N2O6S/c38-34(26-16-18-27(19-17-26)37(41)42)36-31(35(39)40)21-44-20-22-8-10-23(11-9-22)24-12-14-25(15-13-24)28-5-3-6-30-29-4-1-2-7-32(29)43-33(28)30/h1-19,31H,20-21H2,(H,36,38)(H,39,40)