[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C19H25N3O5S2/c1-5-22(6-2)29(25,26)16-11-17(21(3)12-16)19(24)27-13-18(23)20-14-7-9-15(28-4)10-8-14/h7-12H,5-6,13H2,1-4H3,(H,20,23)