4-ethyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-ethyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-ethyl-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]thiazole-5-carboxylic acid CAS Name: 4-ethyl-2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-ethyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-ethyl-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]thiazole-5-carboxylic acid Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=C(SC(=N1)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H21N3O4S/c1-2-21-22(24(30)31)33-25(27-21)28-23(29)19-11-10-16(15-32-18-9-6-12-26-14-18)13-20(19)17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,30,31)(H,27,28,29)