[(5E)-3-(3-bromanylthiophen-2-yl)-5-morpholin-4-ylimino-3-(trifluoromethyl)cyclopenten-1-yl] ethanoate

Systemtic Name: [(5E)-3-(3-bromanylthiophen-2-yl)-5-morpholin-4-ylimino-3-(trifluoromethyl)cyclopenten-1-yl] ethanoate Openeye Name: [(5E)-3-(3-bromo-2-thienyl)-5-morpholinoimino-3-(trifluoromethyl)cyclopenten-1-yl] acetate CAS Name: acetic acid [(5E)-3-(3-bromo-2-thiophenyl)-5-(4-morpholinylimino)-3-(trifluoromethyl)-1-cyclopentenyl] ester IUPAC Name: [(5E)-3-(3-bromothiophen-2-yl)-5-morpholin-4-ylimino-3-(trifluoromethyl)cyclopenten-1-yl] acetate Traditional Name: acetic acid [(5E)-3-(3-bromo-2-thienyl)-5-morpholinoimino-3-(trifluoromethyl)cyclopenten-1-yl] ester Formula: C16H16BrF3N2O3S MolecularWeight: 453.27405

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(CC1=NN2CCOCC2)(C3=C(C=CS3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)OC\1=CC(C/C1=N\N2CCOCC2)(C3=C(C=CS3)Br)C(F)(F)F

InChI

InChI=1S/C16H16BrF3N2O3S/c1-10(23)25-13-9-15(16(18,19)20,14-11(17)2-7-26-14)8-12(13)21-22-3-5-24-6-4-22/h2,7,9H,3-6,8H2,1H3/b21-12+