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

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromo-2-methyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-bromo-2-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromo-2-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromo-2-methyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H16BrNO3S/c1-8-7-9(14)3-4-10(8)12(16)15-11(13(17)18)5-6-19-2/h3-4,7,11H,5-6H2,1-2H3,(H,15,16)(H,17,18)