2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-trifluoro-2-hydroxy-propanoic acid CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-3,3,3-trifluoro-2-hydroxypropanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-trifluoro-2-hydroxypropanoic acid Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-3,3,3-trifluoro-2-hydroxy-propionic acid Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(C(=O)O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C12H12F3NO4S/c1-7(17)16-8-2-4-9(5-3-8)21-6-11(20,10(18)19)12(13,14)15/h2-5,20H,6H2,1H3,(H,16,17)(H,18,19)