5-[2-[2-(4-bromanylfuran-2-yl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[2-[2-(4-bromanylfuran-2-yl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-[2-(4-bromofuran-2-carbonyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-[2-[(4-bromo-2-furanyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-[2-(4-bromofuran-2-carbonyl)-5-methylsulfonylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-(4-bromo-2-furoyl)-5-mesyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C18H18BrNO8S MolecularWeight: 488.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2S(=O)(=O)C)C(=O)C3=CC(=CO3)Br)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2S(=O)(=O)C)C(=O)C3=CC(=CO3)Br)C

InChI

InChI=1S/C18H18BrNO8S/c1-18(2)27-16(22)11(17(23)28-18)6-7-20-12(4-5-14(20)29(3,24)25)15(21)13-8-10(19)9-26-13/h4-5,8-9,11H,6-7H2,1-3H3