2-[2-(3-bromanylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC(=CC=C1)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H16BrNO4S/c1-20-6-5-11(13(17)18)15-12(16)8-19-10-4-2-3-9(14)7-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)