methyl 3-[3-[(3-azanyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-[(3-azanyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(3-amino-4-fluoro-anilino)-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-(3-amino-4-fluoroanilino)-3-oxopropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-(3-amino-4-fluoro-anilino)-3-keto-propyl]thio]propionic acid methyl ester Formula: C13H17FN2O3S MolecularWeight: 300.349083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCC(=O)NC1=CC(=C(C=C1)F)N

Isomeric SMILES

COC(=O)CCSCCC(=O)NC1=CC(=C(C=C1)F)N

InChI

InChI=1S/C13H17FN2O3S/c1-19-13(18)5-7-20-6-4-12(17)16-9-2-3-10(14)11(15)8-9/h2-3,8H,4-7,15H2,1H3,(H,16,17)