diethyl 2-[[2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[2-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylamino]methylene]propanedioate CAS Name: 2-[[2-[[3-(trifluoromethyl)-2-pyridinyl]thio]ethylamino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]methylidene]propanedioate Traditional Name: 2-[[2-[[3-(trifluoromethyl)-2-pyridyl]thio]ethylamino]methylene]malonic acid diethyl ester Formula: C16H19F3N2O4S MolecularWeight: 392.39327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCCSC1=C(C=CC=N1)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNCCSC1=C(C=CC=N1)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H19F3N2O4S/c1-3-24-14(22)11(15(23)25-4-2)10-20-8-9-26-13-12(16(17,18)19)6-5-7-21-13/h5-7,10,20H,3-4,8-9H2,1-2H3