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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H15NO6S MolecularWeight: 421.4226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H15NO6S/c24-20(23-15-6-2-1-3-7-15)13-29-22(26)14-10-11-17-19(12-14)30(27,28)18-9-5-4-8-16(18)21(17)25/h1-12H,13H2,(H,23,24)