3-methylbutyl 2-[6-[bis(fluoranyl)methylsulfanyl]naphthalen-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[6-[bis(fluoranyl)methylsulfanyl]naphthalen-2-yl]ethanoate Openeye Name: isopentyl 2-[6-(difluoromethylsulfanyl)-2-naphthyl]acetate CAS Name: 2-[6-(difluoromethylthio)-2-naphthalenyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[6-(difluoromethylsulfanyl)naphthalen-2-yl]acetate Traditional Name: 2-[6-(difluoromethylthio)-2-naphthyl]acetic acid isoamyl ester Formula: C18H20F2O2S MolecularWeight: 338.412006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1=CC2=C(C=C1)C=C(C=C2)SC(F)F

Isomeric SMILES

CC(C)CCOC(=O)CC1=CC2=C(C=C1)C=C(C=C2)SC(F)F

InChI

InChI=1S/C18H20F2O2S/c1-12(2)7-8-22-17(21)10-13-3-4-15-11-16(23-18(19)20)6-5-14(15)9-13/h3-6,9,11-12,18H,7-8,10H2,1-2H3