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

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]ethanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]acetic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]acetic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]acetic acid Formula: C11H11F2NO3S MolecularWeight: 275.271746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)NCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)NCC(=O)O)F)F

InChI

InChI=1S/C11H11F2NO3S/c12-8-2-1-7(5-9(8)13)18-4-3-10(15)14-6-11(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)