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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C25H27NO3S/c27-23(26-21-8-4-5-9-22(21)30-20-6-2-1-3-7-20)16-29-24(28)25-13-17-10-18(14-25)12-19(11-17)15-25/h1-9,17-19H,10-16H2,(H,26,27)