4-[3-[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-5-methylsulfanyl-phenyl]thiophen-2-yl]benzoate

Systemtic Name: 4-[3-[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-5-methylsulfanyl-phenyl]thiophen-2-yl]benzoate Openeye Name: 4-[3-[2-[(2-chloro-4-fluoro-phenyl)methoxy]-5-methylsulfanyl-phenyl]-2-thienyl]benzoate CAS Name: 4-[3-[2-[(2-chloro-4-fluorophenyl)methoxy]-5-(methylthio)phenyl]-2-thiophenyl]benzoate IUPAC Name: 4-[3-[2-[(2-chloro-4-fluorophenyl)methoxy]-5-methylsulfanylphenyl]thiophen-2-yl]benzoate Traditional Name: 4-[3-[2-(2-chloro-4-fluoro-benzyl)oxy-5-(methylthio)phenyl]-2-thienyl]benzoate Formula: C25H17ClFO3S2- MolecularWeight: 483.982083

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)Cl)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H18ClFO3S2/c1-31-19-8-9-23(30-14-17-6-7-18(27)12-22(17)26)21(13-19)20-10-11-32-24(20)15-2-4-16(5-3-15)25(28)29/h2-13H,14H2,1H3,(H,28,29)/p-1