[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H17BrFNO4S MolecularWeight: 466.320683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)Br)F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)Br)F)OC

InChI

InChI=1S/C20H17BrFNO4S/c1-3-26-17-7-4-12(8-18(17)25-2)19-23-14(11-28-19)10-27-20(24)15-6-5-13(21)9-16(15)22/h4-9,11H,3,10H2,1-2H3