2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]-4-(methylthio)butyric acid Formula: C13H15F2NO3S2 MolecularWeight: 335.389906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3S2/c1-20-5-4-11(13(18)19)16-12(17)7-21-8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)(H,18,19)