3-oxidanylidenebutan-2-yl 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O6S/c1-11(17)12(2)21-16(18)15-9-8-13(22-15)10-23(19,20)14-6-4-3-5-7-14/h3-9,12H,10H2,1-2H3