[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C26H25NO6S/c28-23(27-26-11-15-7-16(12-26)9-17(8-15)13-26)14-33-25(30)18-5-6-20-22(10-18)34(31,32)21-4-2-1-3-19(21)24(20)29/h1-6,10,15-17H,7-9,11-14H2,(H,27,28)