3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C24H18N2O6S/c27-22-16-6-1-4-9-20(16)33(30,31)21-14-15(10-11-17(21)22)23(28)32-13-5-12-26-19-8-3-2-7-18(19)25-24(26)29/h1-4,6-11,14H,5,12-13H2,(H,25,29)