(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C21H24N2O4S/c1-13(24)22-21-9-14-5-15(10-21)8-20(7-14,12-21)19(25)26-11-16-6-17(27-23-16)18-3-2-4-28-18/h2-4,6,14-15H,5,7-12H2,1H3,(H,22,24)/t14-,15+,20?,21?