3,4,4-tris(fluoranyl)but-3-enyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: 3,4,4-tris(fluoranyl)but-3-enyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: 3,4,4-trifluorobut-3-enyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 2-(1,3-benzothiazol-2-ylthio)butanoic acid 3,4,4-trifluorobut-3-enyl ester IUPAC Name: 3,4,4-trifluorobut-3-enyl 2-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)butyric acid 3,4,4-trifluorobut-3-enyl ester Formula: C15H14F3NO2S2 MolecularWeight: 361.40237

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCCC(=C(F)F)F)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCC(C(=O)OCCC(=C(F)F)F)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H14F3NO2S2/c1-2-11(14(20)21-8-7-9(16)13(17)18)22-15-19-10-5-3-4-6-12(10)23-15/h3-6,11H,2,7-8H2,1H3