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

Systemtic Name: methyl 4-[2-cyclohexyl-5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-4-sulfanylidene-1,3-oxathiolan-2-yl]butanoate Openeye Name: methyl 4-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-cyclohexyl-4-thioxo-1,3-oxathiolan-2-yl]butanoate CAS Name: 4-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-cyclohexyl-4-sulfanylidene-1,3-oxathiolan-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-cyclohexyl-4-sulfanylidene-1,3-oxathiolan-2-yl]butanoate Traditional Name: 4-[5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-cyclohexyl-4-thioxo-1,3-oxathiolan-2-yl]butyric acid methyl ester Formula: C28H40O6S2 MolecularWeight: 536.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(O2)(CCCC(=O)OC)C3CCCCC3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(O2)(CCCC(=O)OC)C3CCCCC3

InChI

InChI=1S/C28H40O6S2/c1-4-10-22-23(16-15-21(19(2)29)26(22)31)33-18-9-13-24-27(35)36-28(34-24,17-8-14-25(30)32-3)20-11-6-5-7-12-20/h15-16,20,24,31H,4-14,17-18H2,1-3H3