[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C12H13F2NO3S/c1-7(12(15)17)18-11(16)4-5-19-8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H2,15,17)/t7-/m1/s1