2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: 2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]ethanoate Openeye Name: 2-[2-cyano-5-(3-thienylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]acetate CAS Name: 2-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]acetate IUPAC Name: 2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[2-cyano-5-(3-thenyloxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]acetate Formula: C21H13F3NO4S- MolecularWeight: 432.39243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)/p-1