(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H12N2O5S MolecularWeight: 416.40608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C22H12N2O5S/c25-19-12-5-1-2-6-13(12)20(26)18-14(19)7-3-8-15(18)22(27)28-11-17-23-21(24-29-17)16-9-4-10-30-16/h1-10H,11H2