2-acetamidopropanoate; 3-fluoranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 2-acetamidopropanoate; 3-fluoranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-acetamidopropanoate; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-acetamidopropanoate; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-acetamidopropanoate; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-acetamidopropionate; 3-fluoro-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C12H13FNO3S- MolecularWeight: 270.299923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C.C1C2=CC(=C(S1)C=C2)F

Isomeric SMILES

CC(C(=O)[O-])NC(=O)C.C1C2=CC(=C(S1)C=C2)F

InChI

InChI=1S/C7H5FS.C5H9NO3/c8-6-3-5-1-2-7(6)9-4-5;1-3(5(8)9)6-4(2)7/h1-3H,4H2;3H,1-2H3,(H,6,7)(H,8,9)/p-1