(3,5-dimethyl-1,2-oxazol-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H15NO6S/c1-11-16(12(2)27-21-11)10-26-20(23)13-7-8-15-18(9-13)28(24,25)17-6-4-3-5-14(17)19(15)22/h3-9H,10H2,1-2H3