(2-azanyl-2-oxidanylidene-ethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (2-amino-2-keto-ethyl) ester Formula: C13H15FN2O4S MolecularWeight: 314.332603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N)SCC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

CC(C(=O)OCC(=O)N)SCC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C13H15FN2O4S/c1-8(13(19)20-6-11(15)17)21-7-12(18)16-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H2,15,17)(H,16,18)