methyl 2,4-bis(fluoranyl)-5-(4-phenylsulfanylbutanoylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(4-phenylsulfanylbutanoylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-(4-phenylsulfanylbutanoylamino)benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-4-(phenylthio)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(4-phenylsulfanylbutanoylamino)benzoate Traditional Name: 2,4-difluoro-5-[4-(phenylthio)butanoylamino]benzoic acid methyl ester Formula: C18H17F2NO3S MolecularWeight: 365.394286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C18H17F2NO3S/c1-24-18(23)13-10-16(15(20)11-14(13)19)21-17(22)8-5-9-25-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,22)