(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H14N2O6S/c1-11(22)15(9-21)16(23)10-28-20(25)12-6-7-14-18(8-12)29(26,27)17-5-3-2-4-13(17)19(14)24/h2-8,15,22H,10H2,1H3