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

Systemtic Name: [(4-cyanophenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [(4-cyanophenyl)methylsulfanyl-isobutyl-carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[[(4-cyanophenyl)methylthio]-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-cyanophenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [[(4-cyanobenzyl)thio]-isobutyl-carbamoyl] ester Formula: C19H21FN4O3S MolecularWeight: 404.458443

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O3S/c1-13(2)10-24(28-12-15-5-3-14(8-21)4-6-15)19(26)27-18(25)23-11-16(20)7-17(23)9-22/h3-6,13,16-17H,7,10-12H2,1-2H3