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

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-methyl-amino]acetic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N(C)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C12H14BrNO3S/c1-8-5-9(13)3-4-10(8)18-7-11(15)14(2)6-12(16)17/h3-5H,6-7H2,1-2H3,(H,16,17)