methyl 3-(2-ethanoyl-4-fluoranyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-ethanoyl-4-fluoranyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-acetyl-4-fluoro-phenyl)sulfanylpropanoate CAS Name: 3-[(2-acetyl-4-fluorophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-acetyl-4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-acetyl-4-fluoro-phenyl)thio]propionic acid methyl ester Formula: C12H13FO3S MolecularWeight: 256.293223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)F)SCCC(=O)OC

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)F)SCCC(=O)OC

InChI

InChI=1S/C12H13FO3S/c1-8(14)10-7-9(13)3-4-11(10)17-6-5-12(15)16-2/h3-4,7H,5-6H2,1-2H3