ethyl 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyl-3-pentyl-oct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]butanoate

Systemtic Name: ethyl 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyl-3-pentyl-oct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]butanoate Openeye Name: ethyl 4-[2-[2-[(E)-3-hydroxy-3-pentyl-oct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]butanoate CAS Name: 4-[2-[2-[(E)-3-hydroxy-3-pentyloct-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(E)-3-hydroxy-3-pentyloct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoate Traditional Name: 4-[2-[2-[(E)-3-amyl-3-hydroxy-oct-1-enyl]-5-keto-pyrrolidino]ethylthio]butyric acid ethyl ester Formula: C25H45NO4S MolecularWeight: 455.6941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(C=CC1CCC(=O)N1CCSCCCC(=O)OCC)O

Isomeric SMILES

CCCCCC(CCCCC)(/C=C/C1CCC(=O)N1CCSCCCC(=O)OCC)O

InChI

InChI=1S/C25H45NO4S/c1-4-7-9-16-25(29,17-10-8-5-2)18-15-22-13-14-23(27)26(22)19-21-31-20-11-12-24(28)30-6-3/h15,18,22,29H,4-14,16-17,19-21H2,1-3H3/b18-15+