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

Systemtic Name: (4-nitrophenyl)methyl 2-[bis(fluoranyl)methylsulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(difluoromethylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(difluoromethylthio)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(difluoromethylsulfanylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(difluoromethylthio)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H16F2N2O4S2 MolecularWeight: 378.414646

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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-])S

Isomeric SMILES

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

InChI

InChI=1S/C14H16F2N2O4S2/c15-13(16)24-8-11-5-12(23)6-17(11)14(19)22-7-9-1-3-10(4-2-9)18(20)21/h1-4,11-13,23H,5-8H2