ethyl 4-cyano-3-methyl-5-[[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(p-tolylsulfonylamino)benzoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(tosylamino)benzoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C

InChI

InChI=1S/C23H21N3O5S2/c1-4-31-23(28)20-15(3)18(13-24)22(32-20)25-21(27)17-7-5-6-8-19(17)26-33(29,30)16-11-9-14(2)10-12-16/h5-12,26H,4H2,1-3H3,(H,25,27)