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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=CC=CC=C2Br)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=CC=CC=C2Br)SC)C(=O)O1)C

InChI

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