(3S,4S)-3-(2,2-dimethylpropyl)-1-phenyl-4-(phenylsulfanylmethyl)pyrrolidin-2-one

Systemtic Name: (3S,4S)-3-(2,2-dimethylpropyl)-1-phenyl-4-(phenylsulfanylmethyl)pyrrolidin-2-one Openeye Name: (3S,4S)-3-(2,2-dimethylpropyl)-1-phenyl-4-(phenylsulfanylmethyl)pyrrolidin-2-one CAS Name: (3S,4S)-3-(2,2-dimethylpropyl)-1-phenyl-4-[(phenylthio)methyl]-2-pyrrolidinone IUPAC Name: (3S,4S)-3-(2,2-dimethylpropyl)-1-phenyl-4-(phenylsulfanylmethyl)pyrrolidin-2-one Traditional Name: (3S,4S)-3-neopentyl-1-phenyl-4-[(phenylthio)methyl]-2-pyrrolidone Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1C(CN(C1=O)C2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C[C@H]1[C@@H](CN(C1=O)C2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C22H27NOS/c1-22(2,3)14-20-17(16-25-19-12-8-5-9-13-19)15-23(21(20)24)18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3/t17-,20-/m0/s1