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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C18H19ClN2O3S/c19-18-7-11-4-12(8-18)6-17(5-11,10-18)16(22)23-9-14-20-15(21-24-14)13-2-1-3-25-13/h1-3,11-12H,4-10H2/t11-,12+,17?,18?