[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H25N3O5S/c25-17(22-21-9-13-6-14(10-21)8-15(7-13)11-21)12-28-18(26)3-4-24-20(27)29-19(23-24)16-2-1-5-30-16/h1-2,5,13-15H,3-4,6-12H2,(H,22,25)