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

Systemtic Name: methyl 2-[[4-(bromomethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(bromomethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(bromomethyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(bromomethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(bromomethyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CBr)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CBr)C2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO3S/c1-25-20(24)18(10-11-26-2)22-19(23)16-9-8-14(13-21)12-17(16)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,23)