(4-nitrophenyl) 5-oxidanylidene-2-sulfanylidene-6-(1,4,5-trimethylimidazol-2-yl)hexanoate

Systemtic Name: (4-nitrophenyl) 5-oxidanylidene-2-sulfanylidene-6-(1,4,5-trimethylimidazol-2-yl)hexanoate Openeye Name: (4-nitrophenyl) 5-oxo-2-thioxo-6-(1,4,5-trimethylimidazol-2-yl)hexanoate CAS Name: 5-oxo-2-sulfanylidene-6-(1,4,5-trimethyl-2-imidazolyl)hexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-oxo-2-sulfanylidene-6-(1,4,5-trimethylimidazol-2-yl)hexanoate Traditional Name: 5-keto-2-thioxo-6-(1,4,5-trimethylimidazol-2-yl)hexanoic acid (4-nitrophenyl) ester Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)CC(=O)CCC(=S)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)CC(=O)CCC(=S)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H19N3O5S/c1-11-12(2)20(3)17(19-11)10-14(22)6-9-16(27)18(23)26-15-7-4-13(5-8-15)21(24)25/h4-5,7-8H,6,9-10H2,1-3H3