dimethyl 2-[2-[2-(3-methoxyphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(3-methoxyphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(3-methoxybenzoyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(3-methoxyphenyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(3-methoxybenzoyl)-5-methylsulfonylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2-m-anisoyl-5-mesyl-pyrrol-1-yl)ethyl]malonic acid dimethyl ester Formula: C20H23NO8S MolecularWeight: 437.46352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H23NO8S/c1-27-14-7-5-6-13(12-14)18(22)16-8-9-17(30(4,25)26)21(16)11-10-15(19(23)28-2)20(24)29-3/h5-9,12,15H,10-11H2,1-4H3