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

Systemtic Name: O-[(E)-7-[2-[(E)-3-methyl-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-3-methyl-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-3-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] ester IUPAC Name: O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(E)-7-[3-hydroxy-2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopentyl]hept-5-enyl] ester Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO4S/c1-4-5-10-14-23(2,27)15-13-19-18(20(25)17-21(19)26)12-9-7-6-8-11-16-28-22(29)24-3/h7,9,13,15,18-19,21,26-27H,4-6,8,10-12,14,16-17H2,1-3H3,(H,24,29)/b9-7+,15-13+