1,3-benzothiazol-2-ylmethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H13NO5S2 MolecularWeight: 435.47232

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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)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H13NO5S2/c24-21-14-5-1-4-8-18(14)30(26,27)19-11-13(9-10-15(19)21)22(25)28-12-20-23-16-6-2-3-7-17(16)29-20/h1-11H,12H2