methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrole-3-carboxylate CAS Name: 2-(2-methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methyl-1,3-dithian-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 2-(2-methyl-1,3-dithian-2-yl)-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C18H23NO4S3 MolecularWeight: 413.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3(SCCCS3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(C2C3(SCCCS3)C)C(=O)OC

InChI

InChI=1S/C18H23NO4S3/c1-13-5-7-14(8-6-13)26(21,22)19-10-9-15(17(20)23-3)16(19)18(2)24-11-4-12-25-18/h5-9,16H,4,10-12H2,1-3H3