(2-azanyl-2-oxidanylidene-ethyl) 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid (2-amino-2-keto-ethyl) ester Formula: C11H11F2NO3S MolecularWeight: 275.271746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)OCC(=O)N)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)OCC(=O)N)F)F

InChI

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