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

Systemtic Name: 2-[(4-cyanophenyl)carbonylamino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[(4-cyanobenzoyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]amino]-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[(4-cyanobenzoyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[(4-cyanobenzoyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C36H26N2O4S MolecularWeight: 582.66764

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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)C#N

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)C#N

InChI

InChI=1S/C36H26N2O4S/c37-20-23-8-14-28(15-9-23)35(39)38-32(36(40)41)22-43-21-24-10-12-25(13-11-24)26-16-18-27(19-17-26)29-5-3-6-31-30-4-1-2-7-33(30)42-34(29)31/h1-19,32H,21-22H2,(H,38,39)(H,40,41)