methyl 4-[2-[(1R,2R)-2-[(E,3R)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-cyclopentyl]ethylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-[(1R,2R)-2-[(E,3R)-4-[3-(methoxymethyl)phenyl]-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-cyclopentyl]ethylsulfanyl]butanoate Openeye Name: methyl 4-[2-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-[3-(methoxymethyl)phenyl]pent-1-enyl]-5-oxo-cyclopentyl]ethylsulfanyl]butanoate CAS Name: 4-[2-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-[3-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]ethylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-[3-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate Traditional Name: 4-[2-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-[3-(methoxymethyl)phenyl]pent-1-enyl]-5-keto-cyclopentyl]ethylthio]butyric acid methyl ester Formula: C25H36O5S MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)COC)C(C=CC2CCC(=O)C2CCSCCCC(=O)OC)O

Isomeric SMILES

CC(C1=CC=CC(=C1)COC)[C@@H](/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)OC)O

InChI

InChI=1S/C25H36O5S/c1-18(21-7-4-6-19(16-21)17-29-2)23(26)11-9-20-10-12-24(27)22(20)13-15-31-14-5-8-25(28)30-3/h4,6-7,9,11,16,18,20,22-23,26H,5,8,10,12-15,17H2,1-3H3/b11-9+/t18?,20-,22+,23+/m0/s1