ethyl 4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-5-(1,3-thiazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-5-(1,3-thiazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[(4-methoxyanilino)methyl]-5-(thiazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-[(4-methoxyanilino)methyl]-5-[oxo-(5-thiazolylmethylamino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[(4-methoxyanilino)methyl]-5-(1,3-thiazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-(p-anisidinomethyl)-5-(thiazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NCC3=CN=CS3

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NCC3=CN=CS3

InChI

InChI=1S/C22H26N4O4S/c1-4-17-19(22(28)30-5-2)18(12-24-14-6-8-15(29-3)9-7-14)26-20(17)21(27)25-11-16-10-23-13-31-16/h6-10,13,24,26H,4-5,11-12H2,1-3H3,(H,25,27)