methyl 3-[4-(acetyloxymethylsulfonyl)-3-fluoranyl-phenyl]-4-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(acetyloxymethylsulfonyl)-3-fluoranyl-phenyl]-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[4-(acetoxymethylsulfonyl)-3-fluoro-phenyl]-4-phenyl-thiophene-2-carboxylate CAS Name: 3-[4-(acetyloxymethylsulfonyl)-3-fluorophenyl]-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(acetyloxymethylsulfonyl)-3-fluorophenyl]-4-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(acetoxymethylsulfonyl)-3-fluoro-phenyl]-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H17FO6S2 MolecularWeight: 448.484483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCS(=O)(=O)C1=C(C=C(C=C1)C2=C(SC=C2C3=CC=CC=C3)C(=O)OC)F

Isomeric SMILES

CC(=O)OCS(=O)(=O)C1=C(C=C(C=C1)C2=C(SC=C2C3=CC=CC=C3)C(=O)OC)F

InChI

InChI=1S/C21H17FO6S2/c1-13(23)28-12-30(25,26)18-9-8-15(10-17(18)22)19-16(14-6-4-3-5-7-14)11-29-20(19)21(24)27-2/h3-11H,12H2,1-2H3