[4-(phenylcarbamoyl)phenyl]methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C28H19NO6S MolecularWeight: 497.51856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19NO6S/c30-26-22-8-4-5-9-24(22)36(33,34)25-16-20(14-15-23(25)26)28(32)35-17-18-10-12-19(13-11-18)27(31)29-21-6-2-1-3-7-21/h1-16H,17H2,(H,29,31)