ethyl 4-methyl-2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]thiazole-5-carboxylic acid ethyl ester Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6S2/c1-3-29-20(26)18-11(2)22-21(30-18)23-19(25)12-8-9-14-16(10-12)31(27,28)15-7-5-4-6-13(15)17(14)24/h4-10H,3H2,1-2H3,(H,22,23,25)