2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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