tert-butyl 2-cyclopropylcarbonyl-3-[4-(methylsulfonylmethyl)-1,3-benzodioxol-5-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-[4-(methylsulfonylmethyl)-1,3-benzodioxol-5-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[4-(methylsulfonylmethyl)-1,3-benzodioxol-5-yl]-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-(methylsulfonylmethyl)-1,3-benzodioxol-5-yl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[4-(methylsulfonylmethyl)-1,3-benzodioxol-5-yl]-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[4-(mesylmethyl)-1,3-benzodioxol-5-yl]propionic acid tert-butyl ester Formula: C20H24O8S MolecularWeight: 424.46476

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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)OCO3)CS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)OCO3)CS(=O)(=O)C

InChI

InChI=1S/C20H24O8S/c1-20(2,3)28-19(23)15(16(21)11-5-6-11)17(22)12-7-8-14-18(27-10-26-14)13(12)9-29(4,24)25/h7-8,11,15H,5-6,9-10H2,1-4H3