(2E)-2-[(5-fluoranylthiophen-2-yl)-oxidanyl-methylidene]-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (2E)-2-[(5-fluoranylthiophen-2-yl)-oxidanyl-methylidene]-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: (2E)-2-[(5-fluoro-2-thienyl)-hydroxy-methylene]-5-methyl-3-oxo-hexanenitrile CAS Name: (2E)-2-[(5-fluoro-2-thiophenyl)-hydroxymethylidene]-5-methyl-3-oxohexanenitrile IUPAC Name: (2E)-2-[(5-fluorothiophen-2-yl)-hydroxymethylidene]-5-methyl-3-oxohexanenitrile Traditional Name: (E)-3-(5-fluoro-2-thienyl)-3-hydroxy-2-isovaleryl-acrylonitrile Formula: C12H12FNO2S MolecularWeight: 253.292583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=C(C1=CC=C(S1)F)O)C#N

Isomeric SMILES

CC(C)CC(=O)/C(=C(\C1=CC=C(S1)F)/O)/C#N

InChI

InChI=1S/C12H12FNO2S/c1-7(2)5-9(15)8(6-14)12(16)10-3-4-11(13)17-10/h3-4,7,16H,5H2,1-2H3/b12-8+