dimethyl 2-(pyridin-2-ylmethylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(pyridin-2-ylmethylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(2-pyridylmethylene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(2-pyridinylmethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(pyridin-2-ylmethylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2-pyridylmethylene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C13H11NO4S2 MolecularWeight: 309.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC2=CC=CC=N2)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC2=CC=CC=N2)S1)C(=O)OC

InChI

InChI=1S/C13H11NO4S2/c1-17-12(15)10-11(13(16)18-2)20-9(19-10)7-8-5-3-4-6-14-8/h3-7H,1-2H3