[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C24H20N2O6S MolecularWeight: 464.4904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)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/C24H20N2O6S/c1-26(2)17-10-8-16(9-11-17)25-22(27)14-32-24(29)15-7-12-19-21(13-15)33(30,31)20-6-4-3-5-18(20)23(19)28/h3-13H,14H2,1-2H3,(H,25,27)