2-azanyl-3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12BrFN2O3S MolecularWeight: 351.191983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C11H12BrFN2O3S/c12-6-1-2-9(7(13)3-6)15-10(16)5-19-4-8(14)11(17)18/h1-3,8H,4-5,14H2,(H,15,16)(H,17,18)