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

Systemtic Name: methyl 4-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(3,4-difluorophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H15F2NO3S MolecularWeight: 351.367706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2NO3S/c1-23-17(22)11-2-4-12(5-3-11)20-16(21)8-9-24-13-6-7-14(18)15(19)10-13/h2-7,10H,8-9H2,1H3,(H,20,21)