methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylsulfanylsulfonylamino)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(3-pyridinylthio)sulfonylamino]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylsulfanylsulfonylamino)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(3-pyridylthio)sulfonylamino]benzoyl]amino]butyric acid methyl ester Formula: C24H25N3O5S3 MolecularWeight: 531.6674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)SC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NS(=O)(=O)SC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5S3/c1-32-24(29)22(12-14-33-2)26-23(28)20-11-10-18(15-21(20)17-7-4-3-5-8-17)27-35(30,31)34-19-9-6-13-25-16-19/h3-11,13,15-16,22,27H,12,14H2,1-2H3,(H,26,28)