ethyl 3-[4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanylmethyl]-2-(3-ethoxy-3-oxidanylidene-propyl)-1,3-oxathiolan-2-yl]propanoate

Systemtic Name: ethyl 3-[4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanylmethyl]-2-(3-ethoxy-3-oxidanylidene-propyl)-1,3-oxathiolan-2-yl]propanoate Openeye Name: ethyl 3-[4-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylsulfanylmethyl]-2-(3-ethoxy-3-oxo-propyl)-1,3-oxathiolan-2-yl]propanoate CAS Name: 3-[4-[[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylthio]methyl]-2-(3-ethoxy-3-oxopropyl)-1,3-oxathiolan-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylsulfanylmethyl]-2-(3-ethoxy-3-oxopropyl)-1,3-oxathiolan-2-yl]propanoate Traditional Name: 3-[4-[[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylthio]methyl]-2-(3-ethoxy-3-keto-propyl)-1,3-oxathiolan-2-yl]propionic acid ethyl ester Formula: C27H40O8S2 MolecularWeight: 556.7317

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSCC2COC(S2)(CCC(=O)OCC)CCC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSCC2COC(S2)(CCC(=O)OCC)CCC(=O)OCC

InChI

InChI=1S/C27H40O8S2/c1-5-8-22-23(10-9-21(19(4)28)26(22)31)34-15-16-36-18-20-17-35-27(37-20,13-11-24(29)32-6-2)14-12-25(30)33-7-3/h9-10,20,31H,5-8,11-18H2,1-4H3