ethyl 5-azanyl-3-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-chloro-3-(diethylsulfamoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[4-chloro-3-(diethylsulfamoyl)phenyl]-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-chloro-3-(diethylsulfamoyl)benzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-chloro-3-(diethylsulfamoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)Cl

InChI

InChI=1S/C20H22ClN3O6S2/c1-4-24(5-2)32(27,28)16-9-12(7-8-15(16)21)19(25)30-11-14-13(10-22)18(23)31-17(14)20(26)29-6-3/h7-9H,4-6,11,23H2,1-3H3