[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C15H15NO5S/c1-10-5-6-11(22(2,19)20)8-12(10)15(18)21-9-14(17)13-4-3-7-16-13/h3-8,16H,9H2,1-2H3