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

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[2-[(5-oxidanylidenepyrrolidin-2-yl)amino]ethanethioyloxy]-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[2-[(5-oxopyrrolidin-2-yl)amino]ethanethioyl]oxy-2-phenyl-benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[2-[(5-oxo-2-pyrrolidinyl)amino]-1-sulfanylideneethoxy]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[2-[(5-oxopyrrolidin-2-yl)amino]ethanethioyl]oxy-2-phenylbenzoyl]amino]butanoate Traditional Name: 2-[[4-[2-[(5-ketopyrrolidin-2-yl)amino]thioacetyl]oxy-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OC(=S)CNC2CCC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OC(=S)CNC2CCC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5S2/c1-32-25(31)20(12-13-35-2)27-24(30)18-9-8-17(14-19(18)16-6-4-3-5-7-16)33-23(34)15-26-21-10-11-22(29)28-21/h3-9,14,20-21,26H,10-13,15H2,1-2H3,(H,27,30)(H,28,29)