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

Systemtic Name: tert-butyl (2S)-4-(2-ethoxy-2-oxidanylidene-ethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate Openeye Name: tert-butyl (2S)-4-(2-ethoxy-2-oxo-ethyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-2-carboxylate CAS Name: (2S)-4-(2-ethoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(2-ethoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate Traditional Name: (2S)-4-(2-ethoxy-2-keto-ethyl)-1-tosyl-3-pyrroline-2-carboxylic acid tert-butyl ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27NO6S/c1-6-26-18(22)12-15-11-17(19(23)27-20(3,4)5)21(13-15)28(24,25)16-9-7-14(2)8-10-16/h7-11,17H,6,12-13H2,1-5H3/t17-/m0/s1