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

Systemtic Name: ethyl 3-methyl-5-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(9,10,10-triketothioxanthene-3-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H17NO6S2 MolecularWeight: 455.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C22H17NO6S2/c1-3-29-22(26)20-12(2)10-18(30-20)23-21(25)13-8-9-15-17(11-13)31(27,28)16-7-5-4-6-14(16)19(15)24/h4-11H,3H2,1-2H3,(H,23,25)