3-[1-ethylsulfanyl-2,2,2-tris(fluoranyl)ethyl]-5-methyl-5-oxidanyl-1-(phenylmethyl)pyrrol-2-one

Systemtic Name: 3-[1-ethylsulfanyl-2,2,2-tris(fluoranyl)ethyl]-5-methyl-5-oxidanyl-1-(phenylmethyl)pyrrol-2-one Openeye Name: 1-benzyl-3-(1-ethylsulfanyl-2,2,2-trifluoro-ethyl)-5-hydroxy-5-methyl-pyrrol-2-one CAS Name: 3-[1-(ethylthio)-2,2,2-trifluoroethyl]-5-hydroxy-5-methyl-1-(phenylmethyl)-2-pyrrolone IUPAC Name: 1-benzyl-3-(1-ethylsulfanyl-2,2,2-trifluoroethyl)-5-hydroxy-5-methylpyrrol-2-one Traditional Name: 1-benzyl-3-[1-(ethylthio)-2,2,2-trifluoro-ethyl]-5-hydroxy-5-methyl-3-pyrrolin-2-one Formula: C16H18F3NO2S MolecularWeight: 345.37983

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC(N(C1=O)CC2=CC=CC=C2)(C)O)C(F)(F)F

Isomeric SMILES

CCSC(C1=CC(N(C1=O)CC2=CC=CC=C2)(C)O)C(F)(F)F

InChI

InChI=1S/C16H18F3NO2S/c1-3-23-13(16(17,18)19)12-9-15(2,22)20(14(12)21)10-11-7-5-4-6-8-11/h4-9,13,22H,3,10H2,1-2H3