O-[(E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enyl] N-methylcarbamothioate

Systemtic Name: O-[(E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enyl] N-methylcarbamothioate Openeye Name: O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] ester IUPAC Name: O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CC=CCCCCOC(=S)NC)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1C/C=C/CCCCOC(=S)NC)O)O

InChI

InChI=1S/C22H37NO4S/c1-3-4-8-11-17(24)13-14-19-18(20(25)16-21(19)26)12-9-6-5-7-10-15-27-22(28)23-2/h6,9,13-14,17-19,21,24,26H,3-5,7-8,10-12,15-16H2,1-2H3,(H,23,28)/b9-6+,14-13+