[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2,5-difluorophenyl)sulfanylacetate CAS Name: 2-[(2,5-difluorophenyl)thio]acetic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2,5-difluorophenyl)sulfanylacetate Traditional Name: 2-[(2,5-difluorophenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CSC3=C(C=CC(=C3)F)F

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CSC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C21H22F2N2O3S/c1-15(28-20(26)14-29-19-13-16(22)7-8-18(19)23)21(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/t15-/m1/s1