[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(2-thenoylamino)acetyl]amino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CNC(=O)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CNC(=O)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S/c24-17(21-7-13-4-14(8-21)6-15(5-13)9-21)12-28-19(26)11-22-18(25)10-23-20(27)16-2-1-3-29-16/h1-3,13-15H,4-12H2,(H,22,25)(H,23,27)