4-fluoranyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Openeye Name: 4-fluoro-3-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]benzoic acid CAS Name: 4-fluoro-3-[[5-[(methylthio)methyl]-2-furanyl]methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoic acid Traditional Name: 4-fluoro-3-[[5-[(methylthio)methyl]-2-furyl]methylamino]benzoic acid Formula: C14H14FNO3S MolecularWeight: 295.329263

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CSCC1=CC=C(O1)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C14H14FNO3S/c1-20-8-11-4-3-10(19-11)7-16-13-6-9(14(17)18)2-5-12(13)15/h2-6,16H,7-8H2,1H3,(H,17,18)