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

Systemtic Name: methyl (2S)-2-[2-(4-bromanylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-bromophenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO4S/c1-19-14(18)12(7-8-21-2)16-13(17)9-20-11-5-3-10(15)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,16,17)/t12-/m0/s1