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

Systemtic Name: methyl 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4-fluorophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H16FNO3S MolecularWeight: 333.377243

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO3S/c1-22-17(21)12-2-6-14(7-3-12)19-16(20)10-11-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)