methyl 5-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[3-(4-fluorophenyl)sulfanylpropanoylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[3-[(4-fluorophenyl)thio]propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCSC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCSC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C19H20FNO4S/c1-24-17-8-3-13(11-16(17)19(23)25-2)12-21-18(22)9-10-26-15-6-4-14(20)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)