O-[(E)-7-[2-[(E)-4-methyl-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-methyl-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-methyl-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-methyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enyl] ester IUPAC Name: O-[(E)-7-[2-[(E)-3-hydroxy-4-methyloct-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-methyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enyl] ester Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO3S/c1-4-5-11-18(2)21(25)15-13-19-14-16-22(26)20(19)12-9-7-6-8-10-17-27-23(28)24-3/h7,9,13-16,18-21,25H,4-6,8,10-12,17H2,1-3H3,(H,24,28)/b9-7+,15-13+