(2-phenyl-1,3-thiazol-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H23NO3S/c23-19(20-7-14-6-15(8-20)10-21(24,9-14)13-20)25-11-17-12-26-18(22-17)16-4-2-1-3-5-16/h1-5,12,14-15,24H,6-11,13H2/t14-,15+,20?,21?