ethyl 2-[[2-(2,2-diethylhydrazinyl)-6-isocyano-4,4-dimethyl-5-oxidanylidene-hexanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-(2,2-diethylhydrazinyl)-6-isocyano-4,4-dimethyl-5-oxidanylidene-hexanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-(2,2-diethylhydrazino)-6-isocyano-4,4-dimethyl-5-oxo-hexanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(2,2-diethylhydrazinyl)-6-isocyano-4,4-dimethyl-1,5-dioxohexyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,2-diethylhydrazinyl)-6-isocyano-4,4-dimethyl-5-oxohexanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(N',N'-diethylhydrazino)-6-isocyano-5-keto-4,4-dimethyl-hexanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C20H36N4O4S MolecularWeight: 428.58924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)NC(CC(C)(C)C(=O)C[N+]#[C-])C(=O)NC(CCSC)C(=O)OCC

Isomeric SMILES

CCN(CC)NC(CC(C)(C)C(=O)C[N+]#[C-])C(=O)NC(CCSC)C(=O)OCC

InChI

InChI=1S/C20H36N4O4S/c1-8-24(9-2)23-16(13-20(4,5)17(25)14-21-6)18(26)22-15(11-12-29-7)19(27)28-10-3/h15-16,23H,8-14H2,1-5,7H3,(H,22,26)