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

Systemtic Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-methylthiophen-2-yl)carbonyl-pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-[(4-methyl-2-thiophenyl)-oxomethyl]-1-pyrrolyl]ethyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-mesyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C19H21NO7S2 MolecularWeight: 439.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

InChI

InChI=1S/C19H21NO7S2/c1-11-9-14(28-10-11)16(21)13-5-6-15(29(4,24)25)20(13)8-7-12-17(22)26-19(2,3)27-18(12)23/h5-6,9-10,12H,7-8H2,1-4H3