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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H28N2O4S/c24-18(10-21-7-14-4-15(8-21)6-16(5-14)9-21)23-12-20(26)27-13-19(25)22-11-17-2-1-3-28-17/h1-3,14-16H,4-13H2,(H,22,25)(H,23,24)