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

Systemtic Name: 2,2-dimethyl-5-[(2-sulfanylethylamino)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[(2-sulfanylethylamino)methylene]-1,3-dioxane-4,6-dione CAS Name: 5-[(2-mercaptoethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(2-sulfanylethylamino)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 5-[(2-mercaptoethylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CNCCS)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CNCCS)C(=O)O1)C

InChI

InChI=1S/C9H13NO4S/c1-9(2)13-7(11)6(8(12)14-9)5-10-3-4-15/h5,10,15H,3-4H2,1-2H3