methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfamoylsulfanyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfamoylsulfanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(thiazol-2-ylsulfamoylsulfanyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(2-thiazolylsulfamoylthio)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfamoylsulfanyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(thiazol-2-ylsulfamoylthio)benzoyl]amino]butyric acid methyl ester Formula: C22H23N3O5S4 MolecularWeight: 537.69512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SS(=O)(=O)NC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)SS(=O)(=O)NC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S4/c1-30-21(27)19(10-12-31-2)24-20(26)17-9-8-16(14-18(17)15-6-4-3-5-7-15)33-34(28,29)25-22-23-11-13-32-22/h3-9,11,13-14,19H,10,12H2,1-2H3,(H,23,25)(H,24,26)