methyl 4-[2-(4-azanyl-2-fluoranyl-phenyl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(4-azanyl-2-fluoranyl-phenyl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-amino-2-fluoro-phenyl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-amino-2-fluorophenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-amino-2-fluorophenyl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-amino-2-fluoro-phenyl)thio]acetyl]amino]butyric acid methyl ester Formula: C13H17FN2O3S MolecularWeight: 300.349083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=C(C=C(C=C1)N)F

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=C(C=C(C=C1)N)F

InChI

InChI=1S/C13H17FN2O3S/c1-19-13(18)3-2-6-16-12(17)8-20-11-5-4-9(15)7-10(11)14/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,17)