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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=C(C=C1)C(=O)N)F

Isomeric SMILES

C[C@@H](C(=O)O)SCC1=C(C=C(C=C1)C(=O)N)F

InChI

InChI=1S/C11H12FNO3S/c1-6(11(15)16)17-5-8-3-2-7(10(13)14)4-9(8)12/h2-4,6H,5H2,1H3,(H2,13,14)(H,15,16)/t6-/m0/s1