ethyl 4-phenyl-2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H19NO6S2 MolecularWeight: 517.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C27H19NO6S2/c1-2-34-27(31)23-20(16-8-4-3-5-9-16)15-35-26(23)28-25(30)17-12-13-19-22(14-17)36(32,33)21-11-7-6-10-18(21)24(19)29/h3-15H,2H2,1H3,(H,28,30)