[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4S/c1-18(30)29-27-14-19-11-20(15-27)13-26(12-19,17-27)25(32)33-16-24(31)28-22-9-5-6-10-23(22)34-21-7-3-2-4-8-21/h2-10,19-20H,11-17H2,1H3,(H,28,31)(H,29,30)