3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H16FNO3S MolecularWeight: 285.334443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSCCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSCCC(=O)O)F

InChI

InChI=1S/C13H16FNO3S/c14-11-3-1-10(2-4-11)5-7-15-12(16)9-19-8-6-13(17)18/h1-4H,5-9H2,(H,15,16)(H,17,18)