tert-butyl 2-[2-fluoranyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[2-fluoranyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoate Openeye Name: tert-butyl 2-[2-fluoro-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxo-prop-1-enyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[2-fluoro-4-[(E)-3-[4-(methylthio)phenyl]-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-fluoro-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[2-fluoro-4-[(E)-3-keto-3-[4-(methylthio)phenyl]prop-1-enyl]phenoxy]-2-methyl-propionic acid tert-butyl ester Formula: C24H27FO4S MolecularWeight: 430.532183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)OC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SC)F

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)OC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SC)F

InChI

InChI=1S/C24H27FO4S/c1-23(2,3)29-22(27)24(4,5)28-21-14-8-16(15-19(21)25)7-13-20(26)17-9-11-18(30-6)12-10-17/h7-15H,1-6H3/b13-7+