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

Systemtic Name: 5-[[(2-tert-butylphenyl)amino]-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(2-tert-butylanilino)-methylsulfanyl-methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(2-tert-butylanilino)-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(2-tert-butylanilino)-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(2-tert-butylanilino)-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C(NC2=CC=CC=C2C(C)(C)C)SC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C(NC2=CC=CC=C2C(C)(C)C)SC)C(=O)O1)C

InChI

InChI=1S/C18H23NO4S/c1-17(2,3)11-9-7-8-10-12(11)19-14(24-6)13-15(20)22-18(4,5)23-16(13)21/h7-10,19H,1-6H3