ethyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2-furylmethylsulfanyl)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(2-furanylmethylthio)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(furan-2-ylmethylsulfanyl)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(2-furfurylthio)ethylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCCSCC2=CC=CO2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)NCCSCC2=CC=CO2)C)C

InChI

InChI=1S/C16H22N2O5S2/c1-4-22-16(19)14-11(2)18-12(3)15(14)25(20,21)17-7-9-24-10-13-6-5-8-23-13/h5-6,8,17-18H,4,7,9-10H2,1-3H3