tert-butyl 2-cyclopropylcarbonyl-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[5-(methylthio)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[5-(methylthio)-2,3-dihydro-1,4-benzodioxin-6-yl]propionic acid tert-butyl ester Formula: C20H24O6S MolecularWeight: 392.46596

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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)OCCO3)SC

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C3=C(C=C2)OCCO3)SC

InChI

InChI=1S/C20H24O6S/c1-20(2,3)26-19(23)14(15(21)11-5-6-11)16(22)12-7-8-13-17(18(12)27-4)25-10-9-24-13/h7-8,11,14H,5-6,9-10H2,1-4H3