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

Systemtic Name: 5-[[(4-bromophenyl)amino]-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-bromoanilino)-methylsulfanyl-methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(4-bromoanilino)-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(4-bromoanilino)-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(4-bromoanilino)-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C14H14BrNO4S MolecularWeight: 372.23426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)Br)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=CC=C(C=C2)Br)SC)C(=O)O1)C

InChI

InChI=1S/C14H14BrNO4S/c1-14(2)19-12(17)10(13(18)20-14)11(21-3)16-9-6-4-8(15)5-7-9/h4-7,16H,1-3H3