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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13N3O5S/c23-18-15(22(28)29-9-16-24-21(25-30-16)11-7-8-31-10-11)6-5-14-17(18)20(27)13-4-2-1-3-12(13)19(14)26/h1-8,10H,9,23H2