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

Systemtic Name: [(4-fluorophenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [(4-fluorophenyl)methylsulfanyl-isobutyl-carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[[(4-fluorophenyl)methylthio]-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-fluorophenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [[(4-fluorobenzyl)thio]-isobutyl-carbamoyl] ester Formula: C18H21F2N3O3S MolecularWeight: 397.439446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F2N3O3S/c1-12(2)9-23(27-11-13-3-5-14(19)6-4-13)18(25)26-17(24)22-10-15(20)7-16(22)8-21/h3-6,12,15-16H,7,9-11H2,1-2H3