[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)F

InChI

InChI=1S/C19H20FNO4S/c1-24-14-8-9-16(17(20)12-14)19(23)25-13-18(22)21-10-5-11-26-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22)