methyl 4-fluoranyl-3-(4-phenylsulfanylbutanoylamino)benzoate

Systemtic Name: methyl 4-fluoranyl-3-(4-phenylsulfanylbutanoylamino)benzoate Openeye Name: methyl 4-fluoro-3-(4-phenylsulfanylbutanoylamino)benzoate CAS Name: 4-fluoro-3-[[1-oxo-4-(phenylthio)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(4-phenylsulfanylbutanoylamino)benzoate Traditional Name: 4-fluoro-3-[4-(phenylthio)butanoylamino]benzoic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO3S/c1-23-18(22)13-9-10-15(19)16(12-13)20-17(21)8-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21)