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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)CSCCC(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H16FNO3S/c1-2-15(11-5-3-10(14)4-6-11)12(16)9-19-8-7-13(17)18/h3-6H,2,7-9H2,1H3,(H,17,18)