(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C19H21NO4S/c21-17(18-6-12-4-13(7-18)9-19(22,8-12)11-18)23-10-14-5-15(24-20-14)16-2-1-3-25-16/h1-3,5,12-13,22H,4,6-11H2