methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[3-[(4-fluorophenyl)thio]propanoylamino]methyl]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)CNC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

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