methyl 3-[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-phenyl-4-sulfanylidene-1,3-oxathiolan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-phenyl-4-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Openeye Name: methyl 3-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-phenyl-4-thioxo-1,3-oxathiolan-2-yl]propanoate CAS Name: 3-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-phenyl-4-sulfanylidene-1,3-oxathiolan-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-phenyl-4-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Traditional Name: 3-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-phenyl-4-thioxo-1,3-oxathiolan-2-yl]propionic acid methyl ester Formula: C27H32O6S2 MolecularWeight: 516.66938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(O2)(CCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(O2)(CCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C27H32O6S2/c1-4-9-21-22(14-13-20(18(2)28)25(21)30)32-17-8-12-23-26(34)35-27(33-23,16-15-24(29)31-3)19-10-6-5-7-11-19/h5-7,10-11,13-14,23,30H,4,8-9,12,15-17H2,1-3H3