2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylethanoic acid Openeye Name: 2-[[5-[(4-fluorophenyl)methoxy]-1-isoquinolyl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-fluorophenyl)methoxy]-1-isoquinolinyl]thio]acetic acid IUPAC Name: 2-[5-[(4-fluorophenyl)methoxy]isoquinolin-1-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-fluorobenzyl)oxy-1-isoquinolyl]thio]acetic acid Formula: C18H14FNO3S MolecularWeight: 343.372063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2SCC(=O)O)C(=C1)OCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC2=C(C=CN=C2SCC(=O)O)C(=C1)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FNO3S/c19-13-6-4-12(5-7-13)10-23-16-3-1-2-15-14(16)8-9-20-18(15)24-11-17(21)22/h1-9H,10-11H2,(H,21,22)