methyl (2S)-2-[4-(4-bromanylphenoxy)butanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[4-(4-bromanylphenoxy)butanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[4-(4-bromophenoxy)butanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(4-bromophenoxy)butanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[4-(4-bromophenoxy)butanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C16H22BrNO4S/c1-21-16(20)14(9-11-23-2)18-15(19)4-3-10-22-13-7-5-12(17)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)/t14-/m0/s1