dimethyl 2-[2-[2-(furan-2-ylcarbonyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(furan-2-ylcarbonyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(furan-2-carbonyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[2-furanyl(oxo)methyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(furan-2-carbonyl)-5-methylsulfonylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(2-furoyl)-5-mesyl-pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C17H19NO8S MolecularWeight: 397.39966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1S(=O)(=O)C)C(=O)C2=CC=CO2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1S(=O)(=O)C)C(=O)C2=CC=CO2)C(=O)OC

InChI

InChI=1S/C17H19NO8S/c1-24-16(20)11(17(21)25-2)8-9-18-12(6-7-14(18)27(3,22)23)15(19)13-5-4-10-26-13/h4-7,10-11H,8-9H2,1-3H3