tert-butyl (2S)-1-(2-methylsulfanylphenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-(2-methylsulfanylphenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-(2-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(2-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(methylthio)benzoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H23NO3S/c1-17(2,3)21-16(20)13-9-7-11-18(13)15(19)12-8-5-6-10-14(12)22-4/h5-6,8,10,13H,7,9,11H2,1-4H3/t13-/m0/s1