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

Systemtic Name: dimethyl 2-(cyanomethylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(cyanomethylene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(cyanomethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(cyanomethylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(cyanomethylene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C9H7NO4S2 MolecularWeight: 257.28618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=CC#N)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=CC#N)S1)C(=O)OC

InChI

InChI=1S/C9H7NO4S2/c1-13-8(11)6-7(9(12)14-2)16-5(15-6)3-4-10/h3H,1-2H3