(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1-adamantylcarbonylamino)butanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic 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 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C22H27N3O4S/c26-19(28-13-18-24-20(25-29-18)17-3-2-6-30-17)4-1-5-23-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h2-3,6,14-16H,1,4-5,7-13H2,(H,23,27)