methyl 2-[2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-ethoxy]ethanoylsulfanyl]ethanoate

Systemtic Name: methyl 2-[2-[2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanylidene-ethoxy]ethanoylsulfanyl]ethanoate Openeye Name: methyl 2-[2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxo-ethoxy]acetyl]sulfanylacetate CAS Name: 2-[[2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]-1-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-oxoethoxy]acetyl]sulfanylacetate Traditional Name: 2-[[2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-keto-ethoxy]acetyl]thio]acetic acid methyl ester Formula: C20H15ClF3NO8S MolecularWeight: 521.84821

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=O)COCC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC(=O)COCC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClF3NO8S/c1-31-18(27)10-34-19(28)9-32-8-16(26)13-7-12(3-4-15(13)25(29)30)33-17-5-2-11(6-14(17)21)20(22,23)24/h2-7H,8-10H2,1H3