dimethyl 2-[nitroso(pyridin-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[nitroso(pyridin-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[nitroso(2-pyridyl)methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[nitroso(2-pyridinyl)methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[nitroso(pyridin-2-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[nitroso(2-pyridyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C13H10N2O5S2 MolecularWeight: 338.3589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C2=CC=CC=N2)N=O)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C2=CC=CC=N2)N=O)S1)C(=O)OC

InChI

InChI=1S/C13H10N2O5S2/c1-19-11(16)9-10(12(17)20-2)22-13(21-9)8(15-18)7-5-3-4-6-14-7/h3-6H,1-2H3