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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H25NO4S/c1-26-18-4-2-16(3-5-18)19-23-17(12-28-19)11-27-20(24)21-7-14-6-15(8-21)10-22(25,9-14)13-21/h2-5,12,14-15,25H,6-11,13H2,1H3/t14-,15+,21?,22?