ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]acetate CAS Name: 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]-5-(methylthio)phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylsulfanylphenoxy]acetate Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)carbamoyl]-5-(methylthio)phenoxy]acetic acid ethyl ester Formula: C19H19BrFNO4S MolecularWeight: 456.325863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)SC)C(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)SC)C(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C19H19BrFNO4S/c1-3-25-18(23)11-26-17-9-14(27-2)6-7-15(17)19(24)22-10-12-4-5-13(20)8-16(12)21/h4-9H,3,10-11H2,1-2H3,(H,22,24)