methyl 2,4-bis(fluoranyl)-5-(3-thiophen-3-ylpropanoylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(3-thiophen-3-ylpropanoylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-[3-(3-thienyl)propanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-3-(3-thiophenyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(3-thiophen-3-ylpropanoylamino)benzoate Traditional Name: 2,4-difluoro-5-[3-(3-thienyl)propanoylamino]benzoic acid methyl ester Formula: C15H13F2NO3S MolecularWeight: 325.330426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCC2=CSC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCC2=CSC=C2

InChI

InChI=1S/C15H13F2NO3S/c1-21-15(20)10-6-13(12(17)7-11(10)16)18-14(19)3-2-9-4-5-22-8-9/h4-8H,2-3H2,1H3,(H,18,19)