[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C18H15ClF3NO3S MolecularWeight: 417.82981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=CC=C2Cl)C(F)(F)F

InChI

InChI=1S/C18H15ClF3NO3S/c19-14-8-4-7-13(18(20,21)22)17(14)23-15(24)11-26-16(25)9-10-27-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,23,24)