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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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