tert-butyl 2-[[2,2-bis(fluoranyl)-4-methylsulfanyl-1,3-benzodioxol-5-yl]carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-[[2,2-bis(fluoranyl)-4-methylsulfanyl-1,3-benzodioxol-5-yl]carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2,2-difluoro-4-methylsulfanyl-1,3-benzodioxol-5-yl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2,2-difluoro-4-(methylthio)-1,3-benzodioxol-5-yl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2,2-difluoro-4-methylsulfanyl-1,3-benzodioxol-5-yl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-[2,2-difluoro-4-(methylthio)-1,3-benzodioxol-5-yl]-3-keto-propionic acid tert-butyl ester Formula: C19H20F2O6S MolecularWeight: 414.420306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)OC(O3)(F)F)SC

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)OC(O3)(F)F)SC

InChI

InChI=1S/C19H20F2O6S/c1-18(2,3)27-17(24)12(13(22)9-5-6-9)14(23)10-7-8-11-15(16(10)28-4)26-19(20,21)25-11/h7-9,12H,5-6H2,1-4H3