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

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(4-methylsulfanyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(4-methylsulfanyl-1,3-benzodioxol-5-yl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-(methylthio)-1,3-benzodioxol-5-yl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(4-methylsulfanyl-1,3-benzodioxol-5-yl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[4-(methylthio)-1,3-benzodioxol-5-yl]propionic acid tert-butyl ester Formula: C19H22O6S MolecularWeight: 378.43938

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H22O6S/c1-19(2,3)25-18(22)13(14(20)10-5-6-10)15(21)11-7-8-12-16(17(11)26-4)24-9-23-12/h7-8,10,13H,5-6,9H2,1-4H3