methyl 2-acetamido-3-[(E)-2-bromanyl-1-fluoranyl-ethenyl]sulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[(E)-2-bromanyl-1-fluoranyl-ethenyl]sulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-[(E)-2-bromo-1-fluoro-vinyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(E)-2-bromo-1-fluoroethenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(E)-2-bromo-1-fluoroethenyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[(E)-2-bromo-1-fluoro-vinyl]thio]propionic acid methyl ester Formula: C8H11BrFNO3S MolecularWeight: 300.145243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=CBr)F)C(=O)OC

Isomeric SMILES

CC(=O)NC(CS/C(=C/Br)/F)C(=O)OC

InChI

InChI=1S/C8H11BrFNO3S/c1-5(12)11-6(8(13)14-2)4-15-7(10)3-9/h3,6H,4H2,1-2H3,(H,11,12)/b7-3+