(3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C20H22FNO5S/c1-25-10-9-22-19(23)13-28-18-6-4-3-5-15(18)20(24)27-12-14-7-8-17(26-2)16(21)11-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)