2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C14H13F3N2O3S MolecularWeight: 346.32483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)SC1=C(C(=CC(=N1)C)C(F)(F)F)C#N)O

Isomeric SMILES

CCO/C(=C(\C(=O)C)/SC1=C(C(=CC(=N1)C)C(F)(F)F)C#N)/O

InChI

InChI=1S/C14H13F3N2O3S/c1-4-22-13(21)11(8(3)20)23-12-9(6-18)10(14(15,16)17)5-7(2)19-12/h5,21H,4H2,1-3H3/b13-11+