(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H17NO6S2 MolecularWeight: 527.56768

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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)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C28H17NO6S2/c30-26(29-20-8-2-4-10-22(20)36-23-11-5-3-9-21(23)29)16-35-28(32)17-13-14-19-25(15-17)37(33,34)24-12-6-1-7-18(24)27(19)31/h1-15H,16H2