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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=NOC(=C4)C5=CC=CS5

InChI

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