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

Systemtic Name: [2-methylpropyl-[(4-phenylphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [isobutyl-[(4-phenylphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[2-methylpropyl-[(4-phenylphenyl)methylthio]amino]-oxomethyl] ester IUPAC Name: [2-methylpropyl-[(4-phenylphenyl)methylsulfanyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [isobutyl-[(4-phenylbenzyl)thio]carbamoyl] ester Formula: C24H26FN3O3S MolecularWeight: 455.544943

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26FN3O3S/c1-17(2)14-28(24(30)31-23(29)27-15-21(25)12-22(27)13-26)32-16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21-22H,12,14-16H2,1-2H3