butyl 3,3-bis(fluoranyl)-2-(6-methylsulfanylnaphthalen-2-yl)propanoate

Systemtic Name: butyl 3,3-bis(fluoranyl)-2-(6-methylsulfanylnaphthalen-2-yl)propanoate Openeye Name: butyl 3,3-difluoro-2-(6-methylsulfanyl-2-naphthyl)propanoate CAS Name: 3,3-difluoro-2-[6-(methylthio)-2-naphthalenyl]propanoic acid butyl ester IUPAC Name: butyl 3,3-difluoro-2-(6-methylsulfanylnaphthalen-2-yl)propanoate Traditional Name: 3,3-difluoro-2-[6-(methylthio)-2-naphthyl]propionic acid butyl ester Formula: C18H20F2O2S MolecularWeight: 338.412006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)SC)C(F)F

Isomeric SMILES

CCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)SC)C(F)F

InChI

InChI=1S/C18H20F2O2S/c1-3-4-9-22-18(21)16(17(19)20)14-6-5-13-11-15(23-2)8-7-12(13)10-14/h5-8,10-11,16-17H,3-4,9H2,1-2H3