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

Systemtic Name: 4-ethyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonyl-1,3-thiazole-5-carboxylic acid Openeye Name: 4-ethyl-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]thiazole-5-carboxylic acid CAS Name: 4-ethyl-2-[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]-5-thiazolecarboxylic acid IUPAC Name: 4-ethyl-2-[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-ethyl-2-[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]thiazole-5-carboxylic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4S/c1-2-21-23(25(29)30)32-24(27-21)22(28)19-11-10-16(15-31-18-9-6-12-26-14-18)13-20(19)17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H,29,30)