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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCC(=O)C4=CC=CS4

InChI

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