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

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H27NO3S/c1-2-15-3-5-18(6-4-15)20-24-19(13-28-20)12-27-21(25)22-8-16-7-17(9-22)11-23(26,10-16)14-22/h3-6,13,16-17,26H,2,7-12,14H2,1H3/t16-,17+,22?,23?