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

Systemtic Name: [(4-methoxyphenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [isobutyl-[(4-methoxyphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[[(4-methoxyphenyl)methylthio]-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-methoxyphenyl)methylsulfanyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [isobutyl-(p-anisylthio)carbamoyl] ester Formula: C19H24FN3O4S MolecularWeight: 409.474963

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O4S/c1-13(2)10-23(28-12-14-4-6-17(26-3)7-5-14)19(25)27-18(24)22-11-15(20)8-16(22)9-21/h4-7,13,15-16H,8,10-12H2,1-3H3