[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-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)NCCSCC2=CC=CC=C2)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)F

InChI

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