tert-butyl 2-cyclopropylcarbonyl-3-(4-fluoranyl-3-methoxy-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(4-fluoranyl-3-methoxy-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(4-fluoro-3-methoxy-2-methylsulfanyl-phenyl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-fluoro-3-methoxy-2-(methylthio)phenyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(4-fluoro-3-methoxy-2-methylsulfanylphenyl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-[4-fluoro-3-methoxy-2-(methylthio)phenyl]-3-keto-propionic acid tert-butyl ester Formula: C19H23FO5S MolecularWeight: 382.446323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FO5S/c1-19(2,3)25-18(23)13(14(21)10-6-7-10)15(22)11-8-9-12(20)16(24-4)17(11)26-5/h8-10,13H,6-7H2,1-5H3