(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C19H20ClNO3S/c20-19-7-12-4-13(8-19)6-18(5-12,11-19)17(22)24-10-14-9-23-16(21-14)15-2-1-3-25-15/h1-3,9,12-13H,4-8,10-11H2/t12-,13+,18?,19?