3-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-aminocarbonyl-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-carbamoyl-2-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-carbamoyl-2-fluorophenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-carbamoyl-2-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-carbamoyl-2-fluoro-benzyl)thio]propionic acid Formula: C11H12FNO3S MolecularWeight: 257.281283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)F)CSCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)F)CSCCC(=O)O

InChI

InChI=1S/C11H12FNO3S/c12-9-5-7(11(13)16)1-2-8(9)6-17-4-3-10(14)15/h1-2,5H,3-4,6H2,(H2,13,16)(H,14,15)