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

Systemtic Name: methyl 4-iodanyl-1-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-2,3-dihydropyrrole-2-carboxylate Openeye Name: methyl 4-iodo-1-(p-tolylsulfonyl)-5-(2-thienyl)-2,3-dihydropyrrole-2-carboxylate CAS Name: 4-iodo-1-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-2,3-dihydropyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-iodo-1-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-2,3-dihydropyrrole-2-carboxylate Traditional Name: 4-iodo-5-(2-thienyl)-1-tosyl-2-pyrroline-2-carboxylic acid methyl ester Formula: C17H16INO4S2 MolecularWeight: 489.34771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=C2C3=CC=CS3)I)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=C2C3=CC=CS3)I)C(=O)OC

InChI

InChI=1S/C17H16INO4S2/c1-11-5-7-12(8-6-11)25(21,22)19-14(17(20)23-2)10-13(18)16(19)15-4-3-9-24-15/h3-9,14H,10H2,1-2H3