ethyl (Z,4E)-2-isocyano-6-methylsulfanyl-4-[2-methylsulfanylethoxy(oxidanyl)methylidene]-5-oxidanylidene-hex-2-enoate

Systemtic Name: ethyl (Z,4E)-2-isocyano-6-methylsulfanyl-4-[2-methylsulfanylethoxy(oxidanyl)methylidene]-5-oxidanylidene-hex-2-enoate Openeye Name: ethyl (Z,4E)-4-[hydroxy(2-methylsulfanylethoxy)methylene]-2-isocyano-6-methylsulfanyl-5-oxo-hex-2-enoate CAS Name: (Z,4E)-4-[hydroxy-[2-(methylthio)ethoxy]methylidene]-2-isocyano-6-(methylthio)-5-oxo-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z,4E)-4-[hydroxy(2-methylsulfanylethoxy)methylidene]-2-isocyano-6-methylsulfanyl-5-oxohex-2-enoate Traditional Name: (2Z,4E)-5-hydroxy-2-isocyano-4-[2-(methylthio)acetyl]-5-[2-(methylthio)ethoxy]penta-2,4-dienoic acid ethyl ester Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=C(O)OCCSC)C(=O)CSC)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C/C(=C(/O)\OCCSC)/C(=O)CSC)/[N+]#[C-]

InChI

InChI=1S/C14H19NO5S2/c1-5-19-14(18)11(15-2)8-10(12(16)9-22-4)13(17)20-6-7-21-3/h8,17H,5-7,9H2,1,3-4H3/b11-8-,13-10+