[1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2,6-difluoroanilino)-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=C(C=CC=C1F)F)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC=C1F)F)OC(=O)CCSC2=CC=CC=C2

InChI

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