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

Systemtic Name: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxycarbonylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(2-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C24H17NO8S MolecularWeight: 479.45868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H17NO8S/c1-32-24(29)15-6-2-4-8-18(15)25-21(26)13-33-23(28)14-10-11-17-20(12-14)34(30,31)19-9-5-3-7-16(19)22(17)27/h2-12H,13H2,1H3,(H,25,26)