methyl 2-deuterio-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanyl-ethanoate

Systemtic Name: methyl 2-deuterio-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanyl-ethanoate Openeye Name: methyl 2-deuterio-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanyl-acetate CAS Name: 2-deuterio-2-[[2,2,2-trifluoro-1-(4-methoxyphenyl)iminoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-deuterio-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]sulfanylacetate Traditional Name: 2-deuterio-2-[[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]thio]acetic acid methyl ester Formula: C12H12F3NO3S MolecularWeight: 308.294951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(C(F)(F)F)SCC(=O)OC

Isomeric SMILES

[2H]C(C(=O)OC)SC(=NC1=CC=C(C=C1)OC)C(F)(F)F

InChI

InChI=1S/C12H12F3NO3S/c1-18-9-5-3-8(4-6-9)16-11(12(13,14)15)20-7-10(17)19-2/h3-6H,7H2,1-2H3/i7D