3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]butanoic acid CAS Name: 3-[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[(4-fluorobenzyl)thio]acetyl]amino]butyric acid Formula: C13H16FNO3S MolecularWeight: 285.334443

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSCC1=CC=C(C=C1)F

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSCC1=CC=C(C=C1)F

InChI

InChI=1S/C13H16FNO3S/c1-9(6-13(17)18)15-12(16)8-19-7-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H,15,16)(H,17,18)