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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C25H27NO4S/c27-22(26-20-8-4-5-9-21(20)31-19-6-2-1-3-7-19)15-30-23(28)24-11-17-10-18(12-24)14-25(29,13-17)16-24/h1-9,17-18,29H,10-16H2,(H,26,27)