methyl 5-phenyl-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(9,10,10-triketothioxanthene-3-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C26H17NO6S2 MolecularWeight: 503.54628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H17NO6S2/c1-33-26(30)24-19(14-20(34-24)15-7-3-2-4-8-15)27-25(29)16-11-12-18-22(13-16)35(31,32)21-10-6-5-9-17(21)23(18)28/h2-14H,1H3,(H,27,29)