dimethyl 2-(4-methylphenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(4-methylphenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-methylsulfanyl-5-(p-tolylsulfonyl)-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-5-(methylthio)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methylphenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-(methylthio)-5-tosyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(N2)SC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(N2)SC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H17NO6S2/c1-9-5-7-10(8-6-9)25(20,21)14-12(16(19)23-3)11(15(18)22-2)13(17-14)24-4/h5-8,17H,1-4H3