(3-fluorophenyl)methyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate

Systemtic Name: (3-fluorophenyl)methyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate Openeye Name: (3-fluorophenyl)methyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate CAS Name: 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate Traditional Name: 3-methyl-3-[(2,4,6-trimethoxybenzyl)thio]butyric acid (3-fluorobenzyl) ester Formula: C22H27FO5S MolecularWeight: 422.510183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCC1=CC(=CC=C1)F)SCC2=C(C=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)(CC(=O)OCC1=CC(=CC=C1)F)SCC2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C22H27FO5S/c1-22(2,12-21(24)28-13-15-7-6-8-16(23)9-15)29-14-18-19(26-4)10-17(25-3)11-20(18)27-5/h6-11H,12-14H2,1-5H3