2-azanyl-3-[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C13H17FN2O3S/c1-2-16(10-5-3-9(14)4-6-10)12(17)8-20-7-11(15)13(18)19/h3-6,11H,2,7-8,15H2,1H3,(H,18,19)