5-[(2,2-dimethylpropylamino)-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(2,2-dimethylpropylamino)-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(2,2-dimethylpropylamino)-methylsulfanyl-methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(2,2-dimethylpropylamino)-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(2,2-dimethylpropylamino)-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[(methylthio)-(neopentylamino)methylene]-1,3-dioxane-4,6-quinone Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NCC(C)(C)C)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NCC(C)(C)C)SC)C(=O)O1)C

InChI

InChI=1S/C13H21NO4S/c1-12(2,3)7-14-9(19-6)8-10(15)17-13(4,5)18-11(8)16/h14H,7H2,1-6H3