3-[[2,3,6-tris(fluoranyl)phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[2,3,6-tris(fluoranyl)phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2,3,6-trifluorophenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[sulfanylidene-(2,3,6-trifluoroanilino)methyl]thio]propanoic acid IUPAC Name: 3-[(2,3,6-trifluorophenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2,3,6-trifluorophenyl)thiocarbamoylthio]propionic acid Formula: C10H8F3NO2S2 MolecularWeight: 295.30123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)NC(=S)SCCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C(=C1F)NC(=S)SCCC(=O)O)F)F

InChI

InChI=1S/C10H8F3NO2S2/c11-5-1-2-6(12)9(8(5)13)14-10(17)18-4-3-7(15)16/h1-2H,3-4H2,(H,14,17)(H,15,16)