ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-dithiol-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-dithiol-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxo-ethyl)-1,3-dithiol-2-ylidene]acetate CAS Name: (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[4-(2-ethoxy-2-keto-ethyl)-1,3-dithiol-2-ylidene]acetic acid ethyl ester Formula: C12H13NO4S2 MolecularWeight: 299.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=C(C#N)C(=O)OCC)S1

Isomeric SMILES

CCOC(=O)CC1=CS/C(=C(/C#N)\C(=O)OCC)/S1

InChI

InChI=1S/C12H13NO4S2/c1-3-16-10(14)5-8-7-18-12(19-8)9(6-13)11(15)17-4-2/h7H,3-5H2,1-2H3/b12-9+