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

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C21H22ClNO3S/c22-17-4-2-1-3-16(17)18-23-15(11-27-18)10-26-19(24)20-6-13-5-14(7-20)9-21(25,8-13)12-20/h1-4,11,13-14,25H,5-10,12H2/t13-,14+,20?,21?