tert-butyl 3-methyl-2-(3-methylsulfanylpropanoyloxy)-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: tert-butyl 3-methyl-2-(3-methylsulfanylpropanoyloxy)-4-oxidanylidene-4-phenyl-butanoate Openeye Name: tert-butyl 3-methyl-2-(3-methylsulfanylpropanoyloxy)-4-oxo-4-phenyl-butanoate CAS Name: 3-methyl-2-[3-(methylthio)-1-oxopropoxy]-4-oxo-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-2-(3-methylsulfanylpropanoyloxy)-4-oxo-4-phenylbutanoate Traditional Name: 4-keto-3-methyl-2-[3-(methylthio)propanoyloxy]-4-phenyl-butyric acid tert-butyl ester Formula: C19H26O5S MolecularWeight: 366.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)OC(=O)CCSC)C(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(C(=O)OC(C)(C)C)OC(=O)CCSC)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H26O5S/c1-13(16(21)14-9-7-6-8-10-14)17(18(22)24-19(2,3)4)23-15(20)11-12-25-5/h6-10,13,17H,11-12H2,1-5H3