ethyl 3-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 3-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(3,4-difluorophenyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C18H17F2NO3S MolecularWeight: 365.394286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C18H17F2NO3S/c1-2-24-18(23)12-4-3-5-13(10-12)21-17(22)8-9-25-14-6-7-15(19)16(20)11-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,22)