tert-butyl (2S)-2-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: tert-butyl (2S)-2-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: tert-butyl (2S)-2-ethyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: (2S)-2-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-ethyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: (2S)-2-ethyl-1-tosyl-3-pyrroline-3-carboxylic acid tert-butyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H]1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25NO4S/c1-6-16-15(17(20)23-18(3,4)5)11-12-19(16)24(21,22)14-9-7-13(2)8-10-14/h7-11,16H,6,12H2,1-5H3/t16-/m0/s1