methyl 3-[1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(5-amino-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(5-amino-2-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H17FN2O3S MolecularWeight: 300.349083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)F)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)N)F)SCCC(=O)OC

InChI

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