ethyl 2-[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]thio]acetic acid ethyl ester Formula: C14H15F3N2O5S MolecularWeight: 380.33951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O5S/c1-3-24-12(20)7-25-8(2)13(21)18-11-5-4-9(19(22)23)6-10(11)14(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,21)