ethyl (E)-7-[3-(3-methyl-3-oxidanyl-nonyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]hept-5-enoate

Systemtic Name: ethyl (E)-7-[3-(3-methyl-3-oxidanyl-nonyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]hept-5-enoate Openeye Name: ethyl (E)-7-[3-(3-hydroxy-3-methyl-nonyl)-5-oxo-2-thioxo-imidazolidin-4-yl]hept-5-enoate CAS Name: (E)-7-[3-(3-hydroxy-3-methylnonyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-5-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[3-(3-hydroxy-3-methylnonyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]hept-5-enoate Traditional Name: (E)-7-[3-(3-hydroxy-3-methyl-nonyl)-5-keto-2-thioxo-imidazolidin-4-yl]hept-5-enoic acid ethyl ester Formula: C22H38N2O4S MolecularWeight: 426.61312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCN1C(C(=O)NC1=S)CC=CCCCC(=O)OCC)O

Isomeric SMILES

CCCCCCC(C)(CCN1C(C(=O)NC1=S)C/C=C/CCCC(=O)OCC)O

InChI

InChI=1S/C22H38N2O4S/c1-4-6-7-12-15-22(3,27)16-17-24-18(20(26)23-21(24)29)13-10-8-9-11-14-19(25)28-5-2/h8,10,18,27H,4-7,9,11-17H2,1-3H3,(H,23,26,29)/b10-8+