ethyl (3S)-2,2-bis(fluoranyl)-3-(4-methylsulfanylphenyl)-3-propanoyloxy-propanoate

Systemtic Name: ethyl (3S)-2,2-bis(fluoranyl)-3-(4-methylsulfanylphenyl)-3-propanoyloxy-propanoate Openeye Name: ethyl (3S)-2,2-difluoro-3-(4-methylsulfanylphenyl)-3-propanoyloxy-propanoate CAS Name: (3S)-2,2-difluoro-3-[4-(methylthio)phenyl]-3-(1-oxopropoxy)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-2,2-difluoro-3-(4-methylsulfanylphenyl)-3-propanoyloxypropanoate Traditional Name: (3S)-2,2-difluoro-3-[4-(methylthio)phenyl]-3-propionyloxy-propionic acid ethyl ester Formula: C15H18F2O4S MolecularWeight: 332.362826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C1=CC=C(C=C1)SC)C(C(=O)OCC)(F)F

Isomeric SMILES

CCC(=O)O[C@@H](C1=CC=C(C=C1)SC)C(C(=O)OCC)(F)F

InChI

InChI=1S/C15H18F2O4S/c1-4-12(18)21-13(15(16,17)14(19)20-5-2)10-6-8-11(22-3)9-7-10/h6-9,13H,4-5H2,1-3H3/t13-/m0/s1