ethyl 4-(4-methylsulfonylphenyl)-5-[4-(2-oxidanylideneethylamino)phenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfonylphenyl)-5-[4-(2-oxidanylideneethylamino)phenyl]thiophene-2-carboxylate Openeye Name: ethyl 4-(4-methylsulfonylphenyl)-5-[4-(2-oxoethylamino)phenyl]thiophene-2-carboxylate CAS Name: 4-(4-methylsulfonylphenyl)-5-[4-(2-oxoethylamino)phenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfonylphenyl)-5-[4-(2-oxoethylamino)phenyl]thiophene-2-carboxylate Traditional Name: 5-[4-(2-ketoethylamino)phenyl]-4-(4-mesylphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)C2=CC=C(C=C2)NCC=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)C2=CC=C(C=C2)NCC=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21NO5S2/c1-3-28-22(25)20-14-19(15-6-10-18(11-7-15)30(2,26)27)21(29-20)16-4-8-17(9-5-16)23-12-13-24/h4-11,13-14,23H,3,12H2,1-2H3