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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl adamantane-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C19H21NO3S/c21-18(19-8-12-4-13(9-19)6-14(5-12)10-19)22-11-15-7-16(23-20-15)17-2-1-3-24-17/h1-3,7,12-14H,4-6,8-11H2