ethyl 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: ethyl 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl 2-(4-methoxyphenyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(4-methoxyphenyl)-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO5S/c1-4-27-21(23)19-13-14-22(20(19)16-7-9-17(26-3)10-8-16)28(24,25)18-11-5-15(2)6-12-18/h5-13,20H,4,14H2,1-3H3