tert-butyl 3-[2-oxidanylidene-3-(4-phenoxyphenoxy)propyl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[2-oxidanylidene-3-(4-phenoxyphenoxy)propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[2-oxo-3-(4-phenoxyphenoxy)propyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-3-(4-phenoxyphenoxy)propyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-oxo-3-(4-phenoxyphenoxy)propyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-3-(4-phenoxyphenoxy)propyl]thio]propionic acid tert-butyl ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCSCC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCSCC(=O)COC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H26O5S/c1-22(2,3)27-21(24)13-14-28-16-17(23)15-25-18-9-11-20(12-10-18)26-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3