[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C20H23NO6S/c1-6-28(25,26)16-10-8-7-9-15(16)20(24)27-14(5)19(23)18-11(2)17(13(4)22)12(3)21-18/h7-10,14,21H,6H2,1-5H3