methyl 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methylsulfamoyl]-2-phenyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)methylsulfamoyl]-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoyl]-2-phenyl-benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[(5-oxo-2-pyrrolidinyl)methylsulfamoyl]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[(5-oxopyrrolidin-2-yl)methylsulfamoyl]-2-phenylbenzoyl]amino]butanoate Traditional Name: 2-[[4-[(5-ketopyrrolidin-2-yl)methylsulfamoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NCC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NCC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6S2/c1-33-24(30)21(12-13-34-2)27-23(29)19-10-9-18(14-20(19)16-6-4-3-5-7-16)35(31,32)25-15-17-8-11-22(28)26-17/h3-7,9-10,14,17,21,25H,8,11-13,15H2,1-2H3,(H,26,28)(H,27,29)