[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H21NO7S/c1-13-11-18(23)28-14(2)19(13)20(24)27-12-17(22)15-5-7-16(8-6-15)29(25,26)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3