(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic 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 (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=NC(=NO5)C6=CSC=C6)O

Isomeric SMILES

C1[C@H](N(CC1O)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC5=NC(=NO5)C6=CSC=C6

InChI

InChI=1S/C23H27N3O5S/c27-17-6-18(21(28)30-11-19-24-20(25-31-19)16-1-2-32-12-16)26(10-17)22(29)23-7-13-3-14(8-23)5-15(4-13)9-23/h1-2,12-15,17-18,27H,3-11H2/t13?,14?,15?,17?,18-,23?/m0/s1