tert-butyl 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: tert-butyl 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: tert-butyl 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate CAS Name: 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid tert-butyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CCC1C(C2)C3=NC(=NS3)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CCC1C(C2)C3=NC(=NS3)C4CC4

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)22-16(21)20-9-10-4-7-13(20)12(8-10)15-18-14(19-23-15)11-5-6-11/h10-13H,4-9H2,1-3H3