dimethyl 2-[(E)-3-cyano-4-ethoxy-4-oxidanylidene-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(E)-3-cyano-4-ethoxy-4-oxidanylidene-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(E)-3-cyano-4-ethoxy-4-oxo-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(E)-3-cyano-4-ethoxy-4-oxobut-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-3-cyano-4-ethoxy-4-oxobut-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(E)-3-cyano-4-ethoxy-4-keto-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C14H13NO6S2 MolecularWeight: 355.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C1SC(=C(S1)C(=O)OC)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C=C1SC(=C(S1)C(=O)OC)C(=O)OC)/C#N

InChI

InChI=1S/C14H13NO6S2/c1-4-21-12(16)8(7-15)5-6-9-22-10(13(17)19-2)11(23-9)14(18)20-3/h5-6H,4H2,1-3H3/b8-5+