ethyl 5-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C#N)C

InChI

InChI=1S/C22H21N5O5S2/c1-3-32-22(29)19-15(2)18(14-25)21(33-19)26-20(28)16-6-8-17(9-7-16)34(30,31)27(12-4-10-23)13-5-11-24/h6-9H,3-5,12-13H2,1-2H3,(H,26,28)