ethyl (3R)-2,2-bis(fluoranyl)-4-methyl-3-[(4-methylphenyl)sulfinylamino]pentanoate

Systemtic Name: ethyl (3R)-2,2-bis(fluoranyl)-4-methyl-3-[(4-methylphenyl)sulfinylamino]pentanoate Openeye Name: ethyl (3R)-2,2-difluoro-4-methyl-3-(p-tolylsulfinylamino)pentanoate CAS Name: (3R)-2,2-difluoro-4-methyl-3-[(4-methylphenyl)sulfinylamino]pentanoic acid ethyl ester IUPAC Name: ethyl (3R)-2,2-difluoro-4-methyl-3-[(4-methylphenyl)sulfinylamino]pentanoate Traditional Name: (3R)-2,2-difluoro-4-methyl-3-(p-tolylsulfinylamino)valeric acid ethyl ester Formula: C15H21F2NO3S MolecularWeight: 333.393946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)NS(=O)C1=CC=C(C=C1)C)(F)F

Isomeric SMILES

CCOC(=O)C([C@@H](C(C)C)NS(=O)C1=CC=C(C=C1)C)(F)F

InChI

InChI=1S/C15H21F2NO3S/c1-5-21-14(19)15(16,17)13(10(2)3)18-22(20)12-8-6-11(4)7-9-12/h6-10,13,18H,5H2,1-4H3/t13-,22?/m1/s1