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

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H12N2O6S MolecularWeight: 384.36268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H12N2O6S/c1-10-19-20-16(26-10)9-25-18(22)11-6-7-13-15(8-11)27(23,24)14-5-3-2-4-12(14)17(13)21/h2-8H,9H2,1H3