(Z)-3-(2-azanylethylsulfanyl)-4,4-bis(fluoranyl)but-2-enoic acid

Systemtic Name: (Z)-3-(2-azanylethylsulfanyl)-4,4-bis(fluoranyl)but-2-enoic acid Openeye Name: (Z)-3-(2-aminoethylsulfanyl)-4,4-difluoro-but-2-enoic acid CAS Name: (Z)-3-(2-aminoethylthio)-4,4-difluoro-2-butenoic acid IUPAC Name: (Z)-3-(2-aminoethylsulfanyl)-4,4-difluorobut-2-enoic acid Traditional Name: (Z)-3-(2-aminoethylthio)-4,4-difluoro-but-2-enoic acid Formula: C6H9F2NO2S MolecularWeight: 197.202966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC(=CC(=O)O)C(F)F)N

Isomeric SMILES

C(CS/C(=C\C(=O)O)/C(F)F)N

InChI

InChI=1S/C6H9F2NO2S/c7-6(8)4(3-5(10)11)12-2-1-9/h3,6H,1-2,9H2,(H,10,11)/b4-3-