2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]propionic acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)C(=O)O

InChI

InChI=1S/C13H16BrNO3S/c1-7-5-11(8(2)4-10(7)14)19-6-12(16)15-9(3)13(17)18/h4-5,9H,6H2,1-3H3,(H,15,16)(H,17,18)