methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbamoyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbamoyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridylcarbamoyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[oxo-(2-pyridinylamino)methyl]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbamoyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(2-pyridylcarbamoyl)benzoyl]amino]butyric acid methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-32-25(31)21(13-15-33-2)27-24(30)19-12-11-18(16-20(19)17-8-4-3-5-9-17)23(29)28-22-10-6-7-14-26-22/h3-12,14,16,21H,13,15H2,1-2H3,(H,27,30)(H,26,28,29)