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

Systemtic Name: methyl 3-[4-(acetyloxymethylsulfanyl)-3-fluoranyl-phenyl]-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[4-(acetoxymethylsulfanyl)-3-fluoro-phenyl]-4-phenyl-thiophene-2-carboxylate CAS Name: 3-[4-(acetyloxymethylthio)-3-fluorophenyl]-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(acetyloxymethylsulfanyl)-3-fluorophenyl]-4-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(acetoxymethylthio)-3-fluoro-phenyl]-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H17FO4S2 MolecularWeight: 416.485683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCSC1=C(C=C(C=C1)C2=C(SC=C2C3=CC=CC=C3)C(=O)OC)F

Isomeric SMILES

CC(=O)OCSC1=C(C=C(C=C1)C2=C(SC=C2C3=CC=CC=C3)C(=O)OC)F

InChI

InChI=1S/C21H17FO4S2/c1-13(23)26-12-28-18-9-8-15(10-17(18)22)19-16(14-6-4-3-5-7-14)11-27-20(19)21(24)25-2/h3-11H,12H2,1-2H3