[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-thiophen-2-ylbutanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H28N2O4S/c24-18(13-27-19(25)5-1-3-17-4-2-6-28-17)22-20(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-16H,1,3,5,7-13H2,(H2,22,23,24,26)