(4-nitrophenyl) 5-oxidanylidene-6-(1,2,3,4-tetramethylimidazol-2-yl)sulfanyl-hexanoate

Systemtic Name: (4-nitrophenyl) 5-oxidanylidene-6-(1,2,3,4-tetramethylimidazol-2-yl)sulfanyl-hexanoate Openeye Name: (4-nitrophenyl) 5-oxo-6-(1,2,3,4-tetramethylimidazol-2-yl)sulfanyl-hexanoate CAS Name: 5-oxo-6-[(1,2,3,4-tetramethyl-2-imidazolyl)thio]hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-oxo-6-(1,2,3,4-tetramethylimidazol-2-yl)sulfanylhexanoate Traditional Name: 5-keto-6-[(1,2,3,4-tetramethyl-4-imidazolin-2-yl)thio]hexanoic acid (4-nitrophenyl) ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(N1C)(C)SCC(=O)CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CN(C(N1C)(C)SCC(=O)CCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N3O5S/c1-14-12-20(3)19(2,21(14)4)28-13-16(23)6-5-7-18(24)27-17-10-8-15(9-11-17)22(25)26/h8-12H,5-7,13H2,1-4H3