2-(2,5-dimethylpyrrol-1-yl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(2,5-dimethyl-1-pyrrolyl)ethyl ester IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(2,5-dimethylpyrrol-1-yl)ethyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

CC1=CC=C(N1CCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C22H19NO5S/c1-14-7-8-15(2)23(14)11-12-28-22(25)16-9-10-18-20(13-16)29(26,27)19-6-4-3-5-17(19)21(18)24/h3-10,13H,11-12H2,1-2H3