2-acetamido-3-(4-fluorophenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(4-fluorophenyl)carbonylsulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(4-fluorobenzoyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[(4-fluorophenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-(4-fluorobenzoyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(4-fluorobenzoyl)thio]propionic acid Formula: C12H12FNO4S MolecularWeight: 285.291383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=C(C=C1)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C12H12FNO4S/c1-7(15)14-10(11(16)17)6-19-12(18)8-2-4-9(13)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)(H,16,17)