(4-methylsulfanylphenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [4-(methylthio)benzyl] ester Formula: C17H15F3N2O4S MolecularWeight: 400.37221

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N2O4S/c1-27-13-5-2-11(3-6-13)10-26-16(23)9-21-14-7-4-12(17(18,19)20)8-15(14)22(24)25/h2-8,21H,9-10H2,1H3