[methyl(2-phenethylsulfanylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [methyl(2-phenethylsulfanylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl(2-phenethylsulfanylpropyl)carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-(phenethylthio)propyl]amino]-oxomethyl] ester IUPAC Name: [methyl(2-phenethylsulfanylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-(phenethylthio)propyl]carbamoyl] ester Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)OC(=O)N1CC(CC1C#N)F)SCCC2=CC=CC=C2

Isomeric SMILES

CC(CN(C)C(=O)OC(=O)N1CC(CC1C#N)F)SCCC2=CC=CC=C2

InChI

InChI=1S/C19H24FN3O3S/c1-14(27-9-8-15-6-4-3-5-7-15)12-22(2)18(24)26-19(25)23-13-16(20)10-17(23)11-21/h3-7,14,16-17H,8-10,12-13H2,1-2H3