O-[(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enyl] N-methylcarbamothioate

Systemtic Name: O-[(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enyl] N-methylcarbamothioate Openeye Name: O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] ester IUPAC Name: O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enyl] ester Formula: C24H41NO4S MolecularWeight: 439.65164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41NO4S/c1-5-6-15-24(2,3)22(28)14-13-19-18(20(26)17-21(19)27)12-10-8-7-9-11-16-29-23(30)25-4/h8,10,13-14,18-19,21-22,27-28H,5-7,9,11-12,15-17H2,1-4H3,(H,25,30)/b10-8+,14-13+