(5-ethanoyl-2-ethoxy-phenyl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-(4-fluorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-thiazolecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-fluorophenyl)thiazole-4-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO4S/c1-3-26-19-9-6-15(13(2)24)10-16(19)11-27-21(25)18-12-28-20(23-18)14-4-7-17(22)8-5-14/h4-10,12H,3,11H2,1-2H3