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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C18H17F2NO3S MolecularWeight: 365.394286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCSC2=CC(=C(C=C2)F)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CCSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C18H17F2NO3S/c1-12(18(23)21-13-5-3-2-4-6-13)24-17(22)9-10-25-14-7-8-15(19)16(20)11-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)/t12-/m1/s1