2-methylsulfanylethyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-methylsulfanylethyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-methylsulfanylethyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(methylthio)ethyl ester Formula: C18H13F3N2O5S MolecularWeight: 426.36643

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]

Isomeric SMILES

CSCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N2O5S/c1-29-7-6-27-17(24)14-9-13(3-4-15(14)23(25)26)28-16-5-2-12(18(19,20)21)8-11(16)10-22/h2-5,8-9H,6-7H2,1H3