[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S/c24-17(23-19(26)16-2-1-5-29-16)12-28-18(25)3-4-22-20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-2,5,13-15H,3-4,6-12H2,(H,22,27)(H,23,24,26)