methyl 4-methyl-5-(phenylsulfonylmethyl)-2-propyl-furan-3-carboxylate

Systemtic Name: methyl 4-methyl-5-(phenylsulfonylmethyl)-2-propyl-furan-3-carboxylate Openeye Name: methyl 5-(benzenesulfonylmethyl)-4-methyl-2-propyl-furan-3-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-4-methyl-2-propyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonylmethyl)-4-methyl-2-propylfuran-3-carboxylate Traditional Name: 5-(besylmethyl)-4-methyl-2-propyl-furan-3-carboxylic acid methyl ester Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(O1)CS(=O)(=O)C2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(O1)CS(=O)(=O)C2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C17H20O5S/c1-4-8-14-16(17(18)21-3)12(2)15(22-14)11-23(19,20)13-9-6-5-7-10-13/h5-7,9-10H,4,8,11H2,1-3H3