3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3S/c1-8-6-11(9(2)5-10(8)14)19-7-12(16)15-4-3-13(17)18/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)