3-[2-(4-bromophenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]propionic acid Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NCCC(=O)O)Br

InChI

InChI=1S/C11H12BrNO3S/c12-8-1-3-9(4-2-8)17-7-10(14)13-6-5-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)