(5-fluoranyl-2-methoxy-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (5-fluoro-2-methoxy-benzyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO4S/c1-13(2)22-19(23)12-27-18-7-5-4-6-16(18)20(24)26-11-14-10-15(21)8-9-17(14)25-3/h4-10,13H,11-12H2,1-3H3,(H,22,23)