2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]-3-hydroxy-butyric acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F)O

InChI

InChI=1S/C13H15F2NO4S/c1-7(17)12(13(19)20)16-11(18)4-5-21-8-2-3-9(14)10(15)6-8/h2-3,6-7,12,17H,4-5H2,1H3,(H,16,18)(H,19,20)