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

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO3S/c1-15(2)18-3-5-19(6-4-18)21-25-20(13-29-21)12-28-22(26)23-8-16-7-17(9-23)11-24(27,10-16)14-23/h3-6,13,15-17,27H,7-12,14H2,1-2H3/t16-,17+,23?,24?