methyl 2-[N-(3,5-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylethanoate

Systemtic Name: methyl 2-[N-(3,5-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylethanoate Openeye Name: methyl 2-[N-(3,5-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[1-(3,5-dimethylphenyl)imino-2,2,2-trifluoroethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[N-(3,5-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylacetate Traditional Name: 2-[[N-(3,5-dimethylphenyl)-C-(trifluoromethyl)carbonimidoyl]thio]acetic acid methyl ester Formula: C13H14F3NO2S MolecularWeight: 305.31597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(C(F)(F)F)SCC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(C(F)(F)F)SCC(=O)OC)C

InChI

InChI=1S/C13H14F3NO2S/c1-8-4-9(2)6-10(5-8)17-12(13(14,15)16)20-7-11(18)19-3/h4-6H,7H2,1-3H3