2,2-dimethyl-5-[2-[2-methylsulfanyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-[2-methylsulfanyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-benzoyl-5-methylsulfanyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-[2-benzoyl-5-(methylthio)-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-benzoyl-5-methylsulfanylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-benzoyl-5-(methylthio)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2SC)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2SC)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO5S/c1-20(2)25-18(23)14(19(24)26-20)11-12-21-15(9-10-16(21)27-3)17(22)13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3