2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl-methyl-amino]ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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