2-tert-butyl-5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-5-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-5-[4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-benzylidene]-2-methyl-1,3-dioxane-4,6-quinone Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O6S/c1-12-9-13(2)24-20(23-12)32-17-8-7-14(11-16(17)25(28)29)10-15-18(26)30-22(6,21(3,4)5)31-19(15)27/h7-11H,1-6H3