ethyl 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-thiazole-5-carboxylate CAS Name: 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-1,3-thiazole-5-carboxylate Traditional Name: 4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-propyl-thiazole-5-carboxylic acid ethyl ester Formula: C16H15F3N2O5S MolecularWeight: 404.36091

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(S1)C(=O)OCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCC1=NC(=C(S1)C(=O)OCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H15F3N2O5S/c1-3-5-12-20-14(13(27-12)15(22)25-4-2)26-9-6-7-11(21(23)24)10(8-9)16(17,18)19/h6-8H,3-5H2,1-2H3