[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C28H19NO6S2 MolecularWeight: 529.58356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C28H19NO6S2/c30-26(29-22-11-5-6-12-23(22)36-19-8-2-1-3-9-19)17-35-28(32)18-14-15-21-25(16-18)37(33,34)24-13-7-4-10-20(24)27(21)31/h1-16H,17H2,(H,29,30)