methyl 7-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E)-2-pentylsulfanylethenyl]cyclopentyl]heptanoate

Systemtic Name: methyl 7-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E)-2-pentylsulfanylethenyl]cyclopentyl]heptanoate Openeye Name: methyl 7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-[(E)-2-pentylsulfanylvinyl]cyclopentyl]heptanoate CAS Name: 7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-[(E)-2-(pentylthio)ethenyl]cyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-[(E)-2-pentylsulfanylethenyl]cyclopentyl]heptanoate Traditional Name: 7-[(1R,2S,3R)-2-[(E)-2-(amylthio)vinyl]-3-hydroxy-5-keto-cyclopentyl]enanthic acid methyl ester Formula: C20H34O4S MolecularWeight: 370.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCS/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O

InChI

InChI=1S/C20H34O4S/c1-3-4-9-13-25-14-12-17-16(18(21)15-19(17)22)10-7-5-6-8-11-20(23)24-2/h12,14,16-17,19,22H,3-11,13,15H2,1-2H3/b14-12+/t16-,17-,19-/m1/s1