S-(1,2,2,5,5-pentamethylimidazol-4-yl) 2-ethylhexanethioate

Systemtic Name: S-(1,2,2,5,5-pentamethylimidazol-4-yl) 2-ethylhexanethioate Openeye Name: S-(1,2,2,5,5-pentamethylimidazol-4-yl) 2-ethylhexanethioate CAS Name: 2-ethylhexanethioic acid S-(1,2,2,5,5-pentamethyl-4-imidazolyl) ester IUPAC Name: S-(1,2,2,5,5-pentamethylimidazol-4-yl) 2-ethylhexanethioate Traditional Name: 2-ethylhexanethioic acid S-(1,2,2,5,5-pentamethyl-3-imidazolin-4-yl) ester Formula: C16H30N2OS MolecularWeight: 298.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)SC1=NC(N(C1(C)C)C)(C)C

Isomeric SMILES

CCCCC(CC)C(=O)SC1=NC(N(C1(C)C)C)(C)C

InChI

InChI=1S/C16H30N2OS/c1-8-10-11-12(9-2)13(19)20-14-15(3,4)18(7)16(5,6)17-14/h12H,8-11H2,1-7H3