9,10,10-tris(oxidanylidene)-N-[3-(oxolan-2-ylmethoxy)phenyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[3-(oxolan-2-ylmethoxy)phenyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[3-(tetrahydrofuran-2-ylmethoxy)phenyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[3-(2-oxolanylmethoxy)phenyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[3-(oxolan-2-ylmethoxy)phenyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[3-(tetrahydrofurfuryloxy)phenyl]thioxanthene-3-carboxamide Formula: C25H21NO6S MolecularWeight: 463.50234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H21NO6S/c27-24-20-8-1-2-9-22(20)33(29,30)23-13-16(10-11-21(23)24)25(28)26-17-5-3-6-18(14-17)32-15-19-7-4-12-31-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2,(H,26,28)