(3E)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-1-thiophen-2-yl-cyclohexane-1-carbonitrile

Systemtic Name: (3E)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-1-thiophen-2-yl-cyclohexane-1-carbonitrile Openeye Name: (3E)-3-[hydroxy(methoxy)methylene]-4-oxo-1-(2-thienyl)cyclohexanecarbonitrile CAS Name: (3E)-3-[hydroxy(methoxy)methylidene]-4-oxo-1-thiophen-2-yl-1-cyclohexanecarbonitrile IUPAC Name: (3E)-3-[hydroxy(methoxy)methylidene]-4-oxo-1-thiophen-2-ylcyclohexane-1-carbonitrile Traditional Name: (3E)-3-[hydroxy(methoxy)methylene]-4-keto-1-(2-thienyl)cyclohexanecarbonitrile Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CC(CCC1=O)(C#N)C2=CC=CS2)O

Isomeric SMILES

CO/C(=C/1\CC(CCC1=O)(C#N)C2=CC=CS2)/O

InChI

InChI=1S/C13H13NO3S/c1-17-12(16)9-7-13(8-14,5-4-10(9)15)11-3-2-6-18-11/h2-3,6,16H,4-5,7H2,1H3/b12-9+