tert-butyl (2S)-2-[[(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidin-4-yl]carbonylsulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidin-4-yl]carbonylsulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(3S,4R)-2-methyl-3-phenyl-isoxazolidine-4-carbonyl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[[(3S,4R)-2-methyl-3-phenyl-4-isoxazolidinyl]-oxomethyl]thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(3S,4R)-2-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[[(3S,4R)-2-methyl-3-phenyl-isoxazolidine-4-carbonyl]thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CSC(=O)C2CON(C2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CSC(=O)[C@H]2CON([C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H30N2O4S/c1-21(2,3)27-20(25)23-12-8-11-16(23)14-28-19(24)17-13-26-22(4)18(17)15-9-6-5-7-10-15/h5-7,9-10,16-18H,8,11-14H2,1-4H3/t16-,17-,18+/m0/s1