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

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]acetic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]acetic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO3S/c1-7-4-8(12)2-3-9(7)17-6-10(14)13-5-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)