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

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylmethylsulfanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(2-pyridylmethylsulfanyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(2-pyridinylmethylthio)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylmethylsulfanyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(2-pyridylmethylthio)benzoyl]amino]butyric acid methyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SCC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SCC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S2/c1-30-25(29)23(13-15-31-2)27-24(28)21-12-11-20(32-17-19-10-6-7-14-26-19)16-22(21)18-8-4-3-5-9-18/h3-12,14,16,23H,13,15,17H2,1-2H3,(H,27,28)