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

Systemtic Name: O-[(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enyl] N-methylcarbamothioate Openeye Name: O-[(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enyl] ester IUPAC Name: O-[(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enyl] ester Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO3S/c1-5-6-17-24(2,3)22(27)16-14-19-13-15-21(26)20(19)12-10-8-7-9-11-18-28-23(29)25-4/h8,10,13-16,19-20,22,27H,5-7,9,11-12,17-18H2,1-4H3,(H,25,29)/b10-8+,16-14+