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

Systemtic Name: [(5E)-3-(3-bromanylthiophen-2-yl)-5-piperidin-1-ylimino-3-(trifluoromethyl)cyclopenten-1-yl] ethanoate Openeye Name: [(5E)-3-(3-bromo-2-thienyl)-5-(1-piperidylimino)-3-(trifluoromethyl)cyclopenten-1-yl] acetate CAS Name: acetic acid [(5E)-3-(3-bromo-2-thiophenyl)-5-(1-piperidinylimino)-3-(trifluoromethyl)-1-cyclopentenyl] ester IUPAC Name: [(5E)-3-(3-bromothiophen-2-yl)-5-piperidin-1-ylimino-3-(trifluoromethyl)cyclopenten-1-yl] acetate Traditional Name: acetic acid [(5E)-3-(3-bromo-2-thienyl)-5-piperidinoimino-3-(trifluoromethyl)cyclopenten-1-yl] ester Formula: C17H18BrF3N2O2S MolecularWeight: 451.30123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(CC1=NN2CCCCC2)(C3=C(C=CS3)Br)C(F)(F)F

Isomeric SMILES

CC(=O)OC\1=CC(C/C1=N\N2CCCCC2)(C3=C(C=CS3)Br)C(F)(F)F

InChI

InChI=1S/C17H18BrF3N2O2S/c1-11(24)25-14-10-16(17(19,20)21,15-12(18)5-8-26-15)9-13(14)22-23-6-3-2-4-7-23/h5,8,10H,2-4,6-7,9H2,1H3/b22-13+