(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NOC(=N4)C5=CSC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NOC(=N4)C5=CSC=C5

InChI

InChI=1S/C20H23N3O4S/c1-12(24)22-20-7-13-4-14(8-20)6-19(5-13,11-20)18(25)26-9-16-21-17(27-23-16)15-2-3-28-10-15/h2-3,10,13-14H,4-9,11H2,1H3,(H,22,24)