[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C29H19NO7S MolecularWeight: 525.52866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C29H19NO7S/c31-24(18-10-13-21(14-11-18)30-28(33)19-6-2-1-3-7-19)17-37-29(34)20-12-15-23-26(16-20)38(35,36)25-9-5-4-8-22(25)27(23)32/h1-16H,17H2,(H,30,33)