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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c21-16(17-4-11-3-12(5-17)7-18(22,6-11)10-17)23-8-14-19-15(20-24-14)13-1-2-25-9-13/h1-2,9,11-12,22H,3-8,10H2/t11-,12+,17?,18?