N-(3-tert-butyl-1,2-oxazol-5-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H18N2O5S/c1-21(2,3)17-11-18(28-23-17)22-20(25)12-8-9-14-16(10-12)29(26,27)15-7-5-4-6-13(15)19(14)24/h4-11H,1-3H3,(H,22,25)