2-tert-butyl-5-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-5-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-5-[[4-(4,5-dihydrothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-5-[[4-(4,5-dihydrothiazol-2-ylthio)-3-nitrophenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-5-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-[3-nitro-4-(2-thiazolin-2-ylthio)benzylidene]-1,3-dioxane-4,6-quinone Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)SC3=NCCS3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)SC3=NCCS3)[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C19H20N2O6S2/c1-18(2,3)19(4)26-15(22)12(16(23)27-19)9-11-5-6-14(13(10-11)21(24)25)29-17-20-7-8-28-17/h5-6,9-10H,7-8H2,1-4H3