2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl pyridine-3-carboxylate Openeye Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]ethyl ester IUPAC Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]ethyl ester Formula: C22H16N2O6S MolecularWeight: 436.43724

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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)NCCOC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H16N2O6S/c25-20-16-5-1-2-6-18(16)31(28,29)19-12-14(7-8-17(19)20)21(26)24-10-11-30-22(27)15-4-3-9-23-13-15/h1-9,12-13H,10-11H2,(H,24,26)