[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H30N2O4S/c1-17(29)28-26-13-18-10-19(14-26)12-25(11-18,16-26)24(31)32-15-22(30)27-23(21-8-5-9-33-21)20-6-3-2-4-7-20/h2-9,18-19,23H,10-16H2,1H3,(H,27,30)(H,28,29)