2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamoyl]-5-methylsulfanyl-phenoxy]acetic acid CAS Name: 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]-5-(methylthio)phenoxy]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylsulfanylphenoxy]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)carbamoyl]-5-(methylthio)phenoxy]acetic acid Formula: C17H15BrFNO4S MolecularWeight: 428.272703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O

InChI

InChI=1S/C17H15BrFNO4S/c1-25-12-4-5-13(15(7-12)24-9-16(21)22)17(23)20-8-10-2-3-11(18)6-14(10)19/h2-7H,8-9H2,1H3,(H,20,23)(H,21,22)