methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfanyl-3-fluoro-phenyl]-4-oxo-butanoate CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]thio]-3-fluorophenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfanyl-3-fluorophenyl]-4-oxobutanoate Traditional Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]thio]-3-fluoro-phenyl]-4-keto-butyric acid methyl ester Formula: C28H33FO7S MolecularWeight: 532.620823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=C(C=C(C=C3)C(=O)CCC(=O)OC)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=C(C=C(C=C3)C(=O)CCC(=O)OC)F

InChI

InChI=1S/C28H33FO7S/c1-4-6-19-22(12-10-18(16(2)30)27(19)33)36-23-7-5-8-25(28(23)34)37-24-13-9-17(15-20(24)29)21(31)11-14-26(32)35-3/h9-10,12-13,15,23,25,28,33-34H,4-8,11,14H2,1-3H3