diethyl 2-[[4-ethanoyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[4-ethanoyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[4-acetyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]methylene]propanedioate CAS Name: 2-[[4-acetyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-acetyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]methylidene]propanedioate Traditional Name: 2-[(4-acetyl-1-tosyl-3-pyrrolin-3-yl)methylene]malonic acid diethyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=C(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H25NO7S/c1-5-28-20(24)18(21(25)29-6-2)11-16-12-22(13-19(16)15(4)23)30(26,27)17-9-7-14(3)8-10-17/h7-11H,5-6,12-13H2,1-4H3