2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C11H11BrFNO3S MolecularWeight: 336.177343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C11H11BrFNO3S/c1-6(11(16)17)18-5-10(15)14-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)