2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-bromo-5-methoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-bromo-5-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-bromo-5-methoxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4S/c1-19-8-3-4-10(14)9(7-8)12(16)15-11(13(17)18)5-6-20-2/h3-4,7,11H,5-6H2,1-2H3,(H,15,16)(H,17,18)