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

Systemtic Name: methyl 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-4-methyl-2-phenyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Openeye Name: methyl 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-4-methyl-2-phenyl-5-thioxo-1,3-oxathiolan-2-yl]propanoate CAS Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-4-methyl-2-phenyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-4-methyl-2-phenyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Traditional Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-4-methyl-2-phenyl-5-thioxo-1,3-oxathiolan-2-yl]propionic acid methyl ester Formula: C28H34O6S2 MolecularWeight: 530.69596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2(C(=S)OC(S2)(CCC(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2(C(=S)OC(S2)(CCC(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C28H34O6S2/c1-5-10-22-23(14-13-21(19(2)29)25(22)31)33-18-9-16-27(3)26(35)34-28(36-27,17-15-24(30)32-4)20-11-7-6-8-12-20/h6-8,11-14,31H,5,9-10,15-18H2,1-4H3