(2-chloranyl-6-fluoranyl-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H19ClFNO3S MolecularWeight: 395.875463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H19ClFNO3S/c1-12(2)22-18(23)11-26-17-9-4-3-6-13(17)19(24)25-10-14-15(20)7-5-8-16(14)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)