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

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-methoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-methoxybenzoyl)amino]propanoic acid CAS Name: 3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(4-methoxybenzoyl)amino]propanoic acid Traditional Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]-2-(p-anisoylamino)propionic acid Formula: C36H29NO5S MolecularWeight: 587.68416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C36H29NO5S/c1-41-28-19-17-27(18-20-28)35(38)37-32(36(39)40)22-43-21-23-9-11-24(12-10-23)25-13-15-26(16-14-25)29-6-4-7-31-30-5-2-3-8-33(30)42-34(29)31/h2-20,32H,21-22H2,1H3,(H,37,38)(H,39,40)