methyl 2-[N-(4-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylethanoate

Systemtic Name: methyl 2-[N-(4-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylethanoate Openeye Name: methyl 2-[N-(4-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[2,2,2-trifluoro-1-(4-nitrophenyl)iminoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[N-(4-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylacetate Traditional Name: 2-[[N-(4-nitrophenyl)-C-(trifluoromethyl)carbonimidoyl]thio]acetic acid methyl ester Formula: C11H9F3N2O4S MolecularWeight: 322.26037

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)CSC(=NC1=CC=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H9F3N2O4S/c1-20-9(17)6-21-10(11(12,13)14)15-7-2-4-8(5-3-7)16(18)19/h2-5H,6H2,1H3