(4-nitrophenyl) 6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate

Systemtic Name: (4-nitrophenyl) 6-oxidanylidene-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate Openeye Name: (4-nitrophenyl) 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanyl-heptanoate CAS Name: 6-oxo-7-[(1,4,5-trimethyl-2-imidazolyl)thio]heptanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 6-oxo-7-(1,4,5-trimethylimidazol-2-yl)sulfanylheptanoate Traditional Name: 6-keto-7-[(1,4,5-trimethylimidazol-2-yl)thio]enanthic acid (4-nitrophenyl) ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)CCCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)CCCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H23N3O5S/c1-13-14(2)21(3)19(20-13)28-12-16(23)6-4-5-7-18(24)27-17-10-8-15(9-11-17)22(25)26/h8-11H,4-7,12H2,1-3H3