methyl 5-[[(2S,3R)-2-(5-methyl-3-oxidanyl-non-1-ynyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]methylsulfanyl]pentanoate

Systemtic Name: methyl 5-[[(2S,3R)-2-(5-methyl-3-oxidanyl-non-1-ynyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]methylsulfanyl]pentanoate Openeye Name: methyl 5-[[(2S,3R)-3-hydroxy-2-(3-hydroxy-5-methyl-non-1-ynyl)-5-oxo-cyclopentyl]methylsulfanyl]pentanoate CAS Name: 5-[[(2S,3R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-ynyl)-5-oxocyclopentyl]methylthio]pentanoic acid methyl ester IUPAC Name: methyl 5-[[(2S,3R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-ynyl)-5-oxocyclopentyl]methylsulfanyl]pentanoate Traditional Name: 5-[[(2S,3R)-3-hydroxy-2-(3-hydroxy-5-methyl-non-1-ynyl)-5-keto-cyclopentyl]methylthio]valeric acid methyl ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C#CC1C(CC(=O)C1CSCCCCC(=O)OC)O)O

Isomeric SMILES

CCCCC(C)CC(C#C[C@H]1[C@@H](CC(=O)C1CSCCCCC(=O)OC)O)O

InChI

InChI=1S/C22H36O5S/c1-4-5-8-16(2)13-17(23)10-11-18-19(21(25)14-20(18)24)15-28-12-7-6-9-22(26)27-3/h16-20,23-24H,4-9,12-15H2,1-3H3/t16?,17?,18-,19?,20-/m1/s1