[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)F

InChI

InChI=1S/C18H18FNO3S/c1-13-7-8-14(11-16(13)19)18(22)23-12-17(21)20-9-10-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,21)