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

Systemtic Name: 2-benzamido-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-benzamido-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-benzamido-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-benzamido-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-benzamido-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C35H27NO4S MolecularWeight: 557.65818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C(=O)O

InChI

InChI=1S/C35H27NO4S/c37-34(27-7-2-1-3-8-27)36-31(35(38)39)22-41-21-23-13-15-24(16-14-23)25-17-19-26(20-18-25)28-10-6-11-30-29-9-4-5-12-32(29)40-33(28)30/h1-20,31H,21-22H2,(H,36,37)(H,38,39)