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

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]acetic acid CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]acetic acid Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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