2-acetamido-3-[2,6-bis(fluoranyl)phenyl]carbonylsulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2,6-bis(fluoranyl)phenyl]carbonylsulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2,6-difluorobenzoyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[(2,6-difluorophenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-(2,6-difluorobenzoyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2,6-difluorobenzoyl)thio]propionic acid Formula: C12H11F2NO4S MolecularWeight: 303.281846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=C(C=CC=C1F)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=C(C=CC=C1F)F)C(=O)O

InChI

InChI=1S/C12H11F2NO4S/c1-6(16)15-9(11(17)18)5-20-12(19)10-7(13)3-2-4-8(10)14/h2-4,9H,5H2,1H3,(H,15,16)(H,17,18)