[2-methylpropyl-(phenylmethylsulfanyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [2-methylpropyl-(phenylmethylsulfanyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [benzylsulfanyl(isobutyl)carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[2-methylpropyl-(phenylmethylthio)amino]-oxomethyl] ester IUPAC Name: [benzylsulfanyl(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [(benzylthio)-isobutyl-carbamoyl] ester Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=CC=C2

InChI

InChI=1S/C18H22FN3O3S/c1-13(2)10-22(26-12-14-6-4-3-5-7-14)18(24)25-17(23)21-11-15(19)8-16(21)9-20/h3-7,13,15-16H,8,10-12H2,1-2H3