(3-fluorophenyl)methyl 3-methyl-3-sulfanyl-butanoate

Systemtic Name: (3-fluorophenyl)methyl 3-methyl-3-sulfanyl-butanoate Openeye Name: (3-fluorophenyl)methyl 3-methyl-3-sulfanyl-butanoate CAS Name: 3-mercapto-3-methylbutanoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 3-methyl-3-sulfanylbutanoate Traditional Name: 3-mercapto-3-methyl-butyric acid (3-fluorobenzyl) ester Formula: C12H15FO2S MolecularWeight: 242.309703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCC1=CC(=CC=C1)F)S

Isomeric SMILES

CC(C)(CC(=O)OCC1=CC(=CC=C1)F)S

InChI

InChI=1S/C12H15FO2S/c1-12(2,16)7-11(14)15-8-9-4-3-5-10(13)6-9/h3-6,16H,7-8H2,1-2H3