tert-butyl (2S,4S)-4-(1-ethoxy-1-oxidanylidene-propan-2-yl)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-(1-ethoxy-1-oxidanylidene-propan-2-yl)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,4S)-4-(2-ethoxy-1-methyl-2-oxo-ethyl)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(1-ethoxy-1-oxopropan-2-yl)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-(1-ethoxy-1-oxopropan-2-yl)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(2-ethoxy-2-keto-1-methyl-ethyl)-4-hydroxy-1-tosyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1(CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C(C)[C@]1(C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H31NO7S/c1-7-28-18(23)15(3)21(25)12-17(19(24)29-20(4,5)6)22(13-21)30(26,27)16-10-8-14(2)9-11-16/h8-11,15,17,25H,7,12-13H2,1-6H3/t15?,17-,21+/m0/s1