methyl 4-[4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propyl]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propyl]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propyl]-2,4-dimethyl-5-thioxo-1,3-dithiolan-2-yl]butanoate CAS Name: 4-[4-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propyl]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propyl]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Traditional Name: 4-[4-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propyl]-2,4-dimethyl-5-thioxo-1,3-dithiolan-2-yl]butyric acid methyl ester Formula: C25H36O5S3 MolecularWeight: 512.74534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCC2(C(=S)SC(S2)(C)CCCC(=O)OC)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCC2(C(=S)SC(S2)(C)CCCC(=O)OC)C

InChI

InChI=1S/C25H36O5S3/c1-7-10-19-20(13-12-18(17(2)26)22(19)29-6)30-16-9-14-24(3)23(31)32-25(4,33-24)15-8-11-21(27)28-5/h12-13H,7-11,14-16H2,1-6H3