[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

InChI

InChI=1S/C23H27N5O5S/c1-6-28(7-2)34(31,32)16-12-20(25(3)14-16)23(30)33-15-21(29)17(13-24)22-26(4)18-10-8-9-11-19(18)27(22)5/h8-12,14H,6-7,15H2,1-5H3