(4-nitrophenyl)methyl 2-[bis(fluoranyl)methylsulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[bis(fluoranyl)methylsulfanylmethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(difluoromethylsulfanylmethyl)-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[(difluoromethylthio)methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(difluoromethylsulfanylmethyl)-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[(difluoromethylthio)methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H16F2N2O5S MolecularWeight: 362.349046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC(F)F)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CSC(F)F)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H16F2N2O5S/c15-13(16)24-8-11-5-12(19)6-17(11)14(20)23-7-9-1-3-10(4-2-9)18(21)22/h1-4,11-13,19H,5-8H2